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

Systemtic Name: [2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-(2-chloro-4-methyl-anilino)-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-(2-chloro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-methylanilino)-2-oxoethyl] (E)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-cumenyl-acrylic acid [2-(2-chloro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O3/c1-14(2)17-7-5-16(6-8-17)11-18(12-24)22(27)28-13-21(26)25-20-9-4-15(3)10-19(20)23/h4-11,14H,13H2,1-3H3,(H,25,26)/b18-11+