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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC)/N

InChI

InChI=1S/C23H19N3O4/c1-14(25)19(12-24)22(27)13-30-23(28)18-11-21(15-7-9-16(29-2)10-8-15)26-20-6-4-3-5-17(18)20/h3-11H,13,25H2,1-2H3/b19-14+