4-(3-azanyl-1,2,4-triazol-1-yl)benzoic acid

Systemtic Name: 4-(3-azanyl-1,2,4-triazol-1-yl)benzoic acid Openeye Name: 4-(3-amino-1,2,4-triazol-1-yl)benzoic acid CAS Name: 4-(3-amino-1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 4-(3-amino-1,2,4-triazol-1-yl)benzoic acid Traditional Name: 4-(3-amino-1,2,4-triazol-1-yl)benzoic acid Formula: C9H8N4O2 MolecularWeight: 204.18542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C=NC(=N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C=NC(=N2)N

InChI

InChI=1S/C9H8N4O2/c10-9-11-5-13(12-9)7-3-1-6(2-4-7)8(14)15/h1-5H,(H2,10,12)(H,14,15)