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

Systemtic Name: ethyl (2S)-2-cyano-2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)ethanoate Openeye Name: ethyl (2S)-2-cyano-2-(1-methyl-3-nitro-2-oxo-4-quinolyl)acetate CAS Name: (2S)-2-cyano-2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate Traditional Name: (2S)-2-cyano-2-(2-keto-1-methyl-3-nitro-4-quinolyl)acetic acid ethyl ester Formula: C15H13N3O5 MolecularWeight: 315.28082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O5/c1-3-23-15(20)10(8-16)12-9-6-4-5-7-11(9)17(2)14(19)13(12)18(21)22/h4-7,10H,3H2,1-2H3/t10-/m1/s1