[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,5-dimethylpyrrole-2-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 1,5-dimethylpyrrole-2-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 1,5-dimethylpyrrole-2-carboxylate CAS Name: 1,5-dimethyl-2-pyrrolecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate Traditional Name: 1,5-dimethylpyrrole-2-carboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C18H18ClN3O3 MolecularWeight: 359.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

Isomeric SMILES

CC1=CC=C(N1C)C(=O)OCC(=O)N(CCC#N)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C18H18ClN3O3/c1-13-7-8-16(21(13)2)18(24)25-12-17(23)22(10-4-9-20)15-6-3-5-14(19)11-15/h3,5-8,11H,4,10,12H2,1-2H3