3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid

Systemtic Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid Openeye Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid CAS Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid IUPAC Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid Traditional Name: 3-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzoic acid Formula: C10H8N4O4 MolecularWeight: 248.19492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=NC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=NC(=N2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C10H8N4O4/c15-9(16)8-3-1-2-7(4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)