2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylcarbonyl)pyrrole-3-carboxylic acid

Systemtic Name: 2-[(3-chlorophenyl)carbonylamino]-4,5-dimethyl-1-(phenylcarbonyl)pyrrole-3-carboxylic acid Openeye Name: 1-benzoyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid CAS Name: 1-benzoyl-2-[[(3-chlorophenyl)-oxomethyl]amino]-4,5-dimethyl-3-pyrrolecarboxylic acid IUPAC Name: 1-benzoyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethylpyrrole-3-carboxylic acid Traditional Name: 1-benzoyl-2-[(3-chlorobenzoyl)amino]-4,5-dimethyl-pyrrole-3-carboxylic acid Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C(=O)O)NC(=O)C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H17ClN2O4/c1-12-13(2)24(20(26)14-7-4-3-5-8-14)18(17(12)21(27)28)23-19(25)15-9-6-10-16(22)11-15/h3-11H,1-2H3,(H,23,25)(H,27,28)