4-[3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[3-keto-5-(4-nitrophenyl)-3-pyrazolin-1-yl]benzoic acid Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)NN2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)NN2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c20-15-9-14(10-1-7-13(8-2-10)19(23)24)18(17-15)12-5-3-11(4-6-12)16(21)22/h1-9H,(H,17,20)(H,21,22)