[4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[(E)-3-(4-methylphenyl)-3-oxidanylidene-prop-1-enyl]phenyl] pyridine-3-carboxylate Openeye Name: [4-[(E)-3-oxo-3-(p-tolyl)prop-1-enyl]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[(E)-3-keto-3-(p-tolyl)prop-1-enyl]phenyl] ester Formula: C22H17NO3 MolecularWeight: 343.37528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H17NO3/c1-16-4-9-18(10-5-16)21(24)13-8-17-6-11-20(12-7-17)26-22(25)19-3-2-14-23-15-19/h2-15H,1H3/b13-8+