4-bromanyl-2-(carboxymethyl)-1-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid

Systemtic Name: 4-bromanyl-2-(carboxymethyl)-1-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 4-bromo-2-(carboxymethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 4-bromo-2-(carboxymethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-bromo-2-(carboxymethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 4-bromo-2-(carboxymethyl)-1-methyl-5-p-toluoyl-pyrrole-3-carboxylic acid Formula: C16H14BrNO5 MolecularWeight: 380.19006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2C)CC(=O)O)C(=O)O)Br

InChI

InChI=1S/C16H14BrNO5/c1-8-3-5-9(6-4-8)15(21)14-13(17)12(16(22)23)10(18(14)2)7-11(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,22,23)