ethyl (2S)-2-cyano-2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)ethanoate Openeye Name: ethyl (2S)-2-cyano-2-(3-nitro-2-oxo-1-phenyl-4-quinolyl)acetate CAS Name: (2S)-2-cyano-2-(3-nitro-2-oxo-1-phenyl-4-quinolinyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)acetate Traditional Name: (2S)-2-cyano-2-(2-keto-3-nitro-1-phenyl-4-quinolyl)acetic acid ethyl ester Formula: C20H15N3O5 MolecularWeight: 377.3502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O5/c1-2-28-20(25)15(12-21)17-14-10-6-7-11-16(14)22(13-8-4-3-5-9-13)19(24)18(17)23(26)27/h3-11,15H,2H2,1H3/t15-/m1/s1