[3-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-2-ylmethylamino)prop-1-enyl]phenyl] 4-methylbenzoate

Systemtic Name: [3-[(Z)-2-cyano-3-oxidanylidene-3-(pyridin-2-ylmethylamino)prop-1-enyl]phenyl] 4-methylbenzoate Openeye Name: [3-[(Z)-2-cyano-3-oxo-3-(2-pyridylmethylamino)prop-1-enyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [3-[(Z)-2-cyano-3-oxo-3-(2-pyridinylmethylamino)prop-1-enyl]phenyl] ester IUPAC Name: [3-[(Z)-2-cyano-3-oxo-3-(pyridin-2-ylmethylamino)prop-1-enyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [3-[(Z)-2-cyano-3-keto-3-(2-pyridylmethylamino)prop-1-enyl]phenyl] ester Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NCC3=CC=CC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=C(/C#N)\C(=O)NCC3=CC=CC=N3

InChI

InChI=1S/C24H19N3O3/c1-17-8-10-19(11-9-17)24(29)30-22-7-4-5-18(14-22)13-20(15-25)23(28)27-16-21-6-2-3-12-26-21/h2-14H,16H2,1H3,(H,27,28)/b20-13-