[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C21H19ClN2O3 MolecularWeight: 382.84016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c1-14(2)16-8-6-15(7-9-16)10-17(12-23)21(26)27-13-20(25)24-19-5-3-4-18(22)11-19/h3-11,14H,13H2,1-2H3,(H,24,25)/b17-10+