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Also known as: 38101-92-7, (e)-2-(3-nitrostyryl)quinoline, 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline, 2-(3-nitrostyryl)quinoline, 7251-91-4, Nsc13861

Molecular Formula

C₁₇H₁₂N₂O₂

Molecular Weight

276.29 g/mol

InChI Key

URIXDBULDXTIHZ-CSKARUKUSA-N

1 2D Structure

2-(3-Nitrostyryl)Quinoline

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(E)-2-(3-nitrophenyl)ethenyl]quinoline

2.1.2 InChI

InChI=1S/C17H12N2O2/c20-19(21)16-6-3-4-13(12-16)8-10-15-11-9-14-5-1-2-7-17(14)18-15/h1-12H/b10-8+

2.1.3 InChI Key

URIXDBULDXTIHZ-CSKARUKUSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC(=CC=C3)[N+](=O)[O-]

2.1.5 Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 38101-92-7

2. (e)-2-(3-nitrostyryl)quinoline

3. 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline

4. 2-(3-nitrostyryl)quinoline

5. 7251-91-4

6. Nsc13861

7. Cambridge Id 5573554

8. Quinoline, 2(m-nitrostyryl)-

9. Schembl6797017

10. 2-(trans-3-nitrostyryl)quinoline

11. 2-[(e)-3-nitrostyryl]quinoline

12. 2-(trans-3-nitrostyryl) Quinoline

13. Albb-024180

14. Zinc4008064

15. Alpha-(m-nitrobenzylidene)quinaldine

16. Mfcd00024000

17. Nsc-13861

18. Stk285569

19. Akos000357521

20. Ls-07813

21. Quinoline, 2-[2-(3-nitrophenyl)ethenyl]-

22. Cs-0320178

23. 2-[(1e)-2-(3-nitrophenyl)ethenyl]quinoline

24. 2-[(e)-2-(3-nitrophenyl)ethenyl]quinoline #

25. Quinoline, 2-[(e)-2-(3-nitrophenyl)ethenyl]-

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₂N₂O₂
Molecular Weight	276.29 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	276.089877630 g/mol
Monoisotopic Mass	276.089877630 g/mol
Topological Polar Surface Area	58.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	391
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1