[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H13N3O4 MolecularWeight: 311.29212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=O)NC2=CC=CC=C21)/N

InChI

InChI=1S/C16H13N3O4/c1-9(18)12(7-17)14(20)8-23-16(22)11-6-15(21)19-13-5-3-2-4-10(11)13/h2-6H,8,18H2,1H3,(H,19,21)/b12-9+