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

Systemtic Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid Openeye Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid CAS Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid IUPAC Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid Traditional Name: 3-nitro-4-(1,2,4-triazol-1-yl)benzoic acid Formula: C9H6N4O4 MolecularWeight: 234.16834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N2C=NC=N2

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N2C=NC=N2

InChI

InChI=1S/C9H6N4O4/c14-9(15)6-1-2-7(8(3-6)13(16)17)12-5-10-4-11-12/h1-5H,(H,14,15)