2-[3-[(3-nitrophenyl)carbonylamino]phenyl]-5-oxidanylidene-1H-pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(3-nitrophenyl)carbonylamino]phenyl]-5-oxidanylidene-1H-pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(3-nitrobenzoyl)amino]phenyl]-5-oxo-1H-pyrazole-3-carboxylic acid CAS Name: 2-[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-5-oxo-1H-pyrazole-3-carboxylic acid IUPAC Name: 2-[3-[(3-nitrobenzoyl)amino]phenyl]-5-oxo-1H-pyrazole-3-carboxylic acid Traditional Name: 5-keto-2-[3-[(3-nitrobenzoyl)amino]phenyl]-3-pyrazoline-3-carboxylic acid Formula: C17H12N4O6 MolecularWeight: 368.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)N3C(=CC(=O)N3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)N3C(=CC(=O)N3)C(=O)O

InChI

InChI=1S/C17H12N4O6/c22-15-9-14(17(24)25)20(19-15)12-5-2-4-11(8-12)18-16(23)10-3-1-6-13(7-10)21(26)27/h1-9H,(H,18,23)(H,19,22)(H,24,25)