[2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-oxo-ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-ethyl] ester Formula: C20H18ClN3O5 MolecularWeight: 415.82702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C20H18ClN3O5/c1-12-9-16(17(28-2)10-15(12)21)24-19(26)11-29-20(27)13-3-5-14(6-4-13)23-18(25)7-8-22/h3-6,9-10H,7,11H2,1-2H3,(H,23,25)(H,24,26)