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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] quinoline-2-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C16H13N3O3 MolecularWeight: 295.29272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=NC2=CC=CC=C2C=C1)/N

InChI

InChI=1S/C16H13N3O3/c1-10(18)12(8-17)15(20)9-22-16(21)14-7-6-11-4-2-3-5-13(11)19-14/h2-7H,9,18H2,1H3/b12-10+