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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])N2C=NN=C2)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])N2C=NN=C2)C(=O)O

InChI

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