[2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(5-chloranylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylic acid [2-[(5-chloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=C2C)C(=O)OCC(=O)NC3=NC=C(C=C3)Cl)C

InChI

InChI=1S/C21H20ClN3O3/c1-13-6-4-5-7-18(13)25-14(2)10-17(15(25)3)21(27)28-12-20(26)24-19-9-8-16(22)11-23-19/h4-11H,12H2,1-3H3,(H,23,24,26)