[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-acetamidobenzoate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H18ClN3O4/c1-14(25)23-17-8-6-15(7-9-17)20(27)28-13-19(26)24(11-3-10-22)18-5-2-4-16(21)12-18/h2,4-9,12H,3,11,13H2,1H3,(H,23,25)