[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)C(=CC2=CC=C(C=C2)N(C)C)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)OC(=O)/C(=C/C2=CC=C(C=C2)N(C)C)/C#N

InChI

InChI=1S/C22H20N4O3/c1-15(21(27)25-19-6-4-5-17(12-19)13-23)29-22(28)18(14-24)11-16-7-9-20(10-8-16)26(2)3/h4-12,15H,1-3H3,(H,25,27)/b18-11+