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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])C(=O)O

InChI

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