2-[(E)-[(4-bromanyl-1H-pyrrol-2-yl)carbonylhydrazinylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-[(4-bromanyl-1H-pyrrol-2-yl)carbonylhydrazinylidene]methyl]benzoic acid Openeye Name: 2-[(E)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[(4-bromo-1H-pyrrole-2-carbonyl)hydrazono]methyl]benzoic acid Formula: C13H10BrN3O3 MolecularWeight: 336.1408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CN2)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC(=CN2)Br)C(=O)O

InChI

InChI=1S/C13H10BrN3O3/c14-9-5-11(15-7-9)12(18)17-16-6-8-3-1-2-4-10(8)13(19)20/h1-7,15H,(H,17,18)(H,19,20)/b16-6+