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

Systemtic Name: [1-[(5-chloranylpyridin-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(2-methylphenyl)pyrrole-3-carboxylate Openeye Name: [2-[(5-chloro-2-pyridyl)amino]-1-methyl-2-oxo-ethyl] 2,5-dimethyl-1-(o-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(2-methylphenyl)-3-pyrrolecarboxylic acid [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(5-chloropyridin-2-yl)amino]-1-oxopropan-2-yl] 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-1-methyl-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3/c1-13-7-5-6-8-19(13)26-14(2)11-18(15(26)3)22(28)29-16(4)21(27)25-20-10-9-17(23)12-24-20/h5-12,16H,1-4H3,(H,24,25,27)