[1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-pyridin-2-yl-pyrrole-3-carboxylate

Systemtic Name: [1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-pyridin-2-yl-pyrrole-3-carboxylate Openeye Name: [2-(2-chloroanilino)-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(2-pyridyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolecarboxylic acid [1-(2-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloroanilino)-1-oxopropan-2-yl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-pyridyl)pyrrole-3-carboxylic acid [2-(2-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O3/c1-13-12-16(14(2)25(13)19-10-6-7-11-23-19)21(27)28-15(3)20(26)24-18-9-5-4-8-17(18)22/h4-12,15H,1-3H3,(H,24,26)