2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]-5-methyl-benzoic acid Openeye Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-methyl-benzoic acid CAS Name: 2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-5-methylbenzoic acid IUPAC Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-methylbenzoic acid Traditional Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-methyl-benzoic acid Formula: C13H11BrN2O3 MolecularWeight: 323.14204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN2)Br)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CN2)Br)C(=O)O

InChI

InChI=1S/C13H11BrN2O3/c1-7-2-3-10(9(4-7)13(18)19)16-12(17)11-5-8(14)6-15-11/h2-6,15H,1H3,(H,16,17)(H,18,19)