[4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate Openeye Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=NC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2)OC(=O)C3=CC=NC=C3

InChI

InChI=1S/C24H19N3O4/c1-30-22-14-18(7-8-21(22)31-24(29)19-9-11-26-12-10-19)13-20(15-25)23(28)27-16-17-5-3-2-4-6-17/h2-14H,16H2,1H3,(H,27,28)/b20-13+