4-bromanyl-5-methanoyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 4-bromanyl-5-methanoyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 4-bromo-5-formyl-1-methyl-pyrrole-2-carboxylic acid CAS Name: 4-bromo-5-formyl-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 4-bromo-5-formyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-bromo-5-formyl-1-methyl-pyrrole-2-carboxylic acid Formula: C7H6BrNO3 MolecularWeight: 232.03144

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C=O)Br)C(=O)O

Isomeric SMILES

CN1C(=CC(=C1C=O)Br)C(=O)O

InChI

InChI=1S/C7H6BrNO3/c1-9-5(7(11)12)2-4(8)6(9)3-10/h2-3H,1H3,(H,11,12)