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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=O)N(N2)C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=O)N(N2)C3=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)17-18(15)12-5-3-11(4-6-12)16(21)22/h1-9,17H,(H,21,22)