[2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: [2-[(3-chloranyl-4-methoxy-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-chloro-4-methoxy-anilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-chloro-4-methoxy-anilino)-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NC2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H20ClN3O4/c1-25(2)17-7-4-14(5-8-17)10-15(12-23)21(27)29-13-20(26)24-16-6-9-19(28-3)18(22)11-16/h4-11H,13H2,1-3H3,(H,24,26)/b15-10+