2-[[4-(methylamino)-5-oxidanylidene-imidazol-2-yl]amino]benzoic acid

Systemtic Name: 2-[[4-(methylamino)-5-oxidanylidene-imidazol-2-yl]amino]benzoic acid Openeye Name: 2-[[4-(methylamino)-5-oxo-imidazol-2-yl]amino]benzoic acid CAS Name: 2-[[4-(methylamino)-5-oxo-2-imidazolyl]amino]benzoic acid IUPAC Name: 2-[[4-(methylamino)-5-oxoimidazol-2-yl]amino]benzoic acid Traditional Name: 2-[[4-keto-5-(methylamino)imidazol-2-yl]amino]benzoic acid Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC1=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CNC1=NC(=NC1=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C11H10N4O3/c1-12-8-9(16)15-11(14-8)13-7-5-3-2-4-6(7)10(17)18/h2-5H,1H3,(H,17,18)(H2,12,13,14,15,16)