[4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-methylphenyl)amino]-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate Openeye Name: [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] cyclopropanecarboxylate CAS Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenyl] cyclopropanecarboxylate Traditional Name: cyclopropanecarboxylic acid [4-[(E)-2-cyano-3-keto-3-(m-toluidino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20N2O4 MolecularWeight: 376.4052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3CC3)OC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3CC3)OC)/C#N

InChI

InChI=1S/C22H20N2O4/c1-14-4-3-5-18(10-14)24-21(25)17(13-23)11-15-6-9-19(20(12-15)27-2)28-22(26)16-7-8-16/h3-6,9-12,16H,7-8H2,1-2H3,(H,24,25)/b17-11+