[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4/c1-14-7-15(2)9-18(8-14)23-20(24)13-27-21(25)17(12-22)10-16-5-4-6-19(11-16)26-3/h4-11H,13H2,1-3H3,(H,23,24)/b17-10+