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

Systemtic Name: 3-[1-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzoic acid Openeye Name: 3-[1-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzoic acid CAS Name: 3-[1-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzoic acid IUPAC Name: 3-[1-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzoic acid Traditional Name: 3-[1-(4-nitrophenyl)-1,2,4-triazol-3-yl]benzoic acid Formula: C15H10N4O4 MolecularWeight: 310.2643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=NN(C=N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O4/c20-15(21)11-3-1-2-10(8-11)14-16-9-18(17-14)12-4-6-13(7-5-12)19(22)23/h1-9H,(H,20,21)