[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-12-9-13(2)19(16(21)10-12)24-18(26)11-28-20(27)14-3-5-15(6-4-14)23-17(25)7-8-22/h3-6,9-10H,7,11H2,1-2H3,(H,23,25)(H,24,26)