[3-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate

Systemtic Name: [3-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxidanylidene-prop-1-enyl]phenyl] furan-2-carboxylate Openeye Name: [3-[(E)-2-cyano-3-oxo-3-(p-tolylmethylamino)prop-1-enyl]phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [3-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [3-[(E)-2-cyano-3-[(4-methylphenyl)methylamino]-3-oxoprop-1-enyl]phenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [3-[(E)-2-cyano-3-keto-3-[(4-methylbenzyl)amino]prop-1-enyl]phenyl] ester Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=CO3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=CC=C2)OC(=O)C3=CC=CO3)/C#N

InChI

InChI=1S/C23H18N2O4/c1-16-7-9-17(10-8-16)15-25-22(26)19(14-24)12-18-4-2-5-20(13-18)29-23(27)21-6-3-11-28-21/h2-13H,15H2,1H3,(H,25,26)/b19-12+