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

Systemtic Name: 4-bromanyl-2-(cyanomethyl)-1-methyl-5-(4-methylphenyl)carbonyl-pyrrole-3-carboxylic acid Openeye Name: 4-bromo-2-(cyanomethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid CAS Name: 4-bromo-2-(cyanomethyl)-1-methyl-5-[(4-methylphenyl)-oxomethyl]-3-pyrrolecarboxylic acid IUPAC Name: 4-bromo-2-(cyanomethyl)-1-methyl-5-(4-methylbenzoyl)pyrrole-3-carboxylic acid Traditional Name: 4-bromo-2-(cyanomethyl)-1-methyl-5-p-toluoyl-pyrrole-3-carboxylic acid Formula: C16H13BrN2O3 MolecularWeight: 361.19002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O3/c1-9-3-5-10(6-4-9)15(20)14-13(17)12(16(21)22)11(7-8-18)19(14)2/h3-6H,7H2,1-2H3,(H,21,22)