4-(4-bromanyl-2-methyl-phenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-(4-bromanyl-2-methyl-phenyl)carbonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-bromo-2-methyl-benzoyl)-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-[(4-bromo-2-methylphenyl)-oxomethyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-bromo-2-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(4-bromo-2-methyl-benzoyl)-1-methyl-pyrrole-2-carboxylic acid Formula: C14H12BrNO3 MolecularWeight: 322.15398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrNO3/c1-8-5-10(15)3-4-11(8)13(17)9-6-12(14(18)19)16(2)7-9/h3-7H,1-2H3,(H,18,19)