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

Systemtic Name: 2-[[3-methyl-1-(4-nitrophenyl)carbonyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[3-methyl-1-(4-nitrobenzoyl)-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[3-methyl-1-[(4-nitrophenyl)-oxomethyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[3-methyl-1-(4-nitrobenzoyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[5-keto-3-methyl-1-(4-nitrobenzoyl)-2-pyrazolin-4-yl]azo]benzoic acid Formula: C18H13N5O6 MolecularWeight: 395.32572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O6/c1-10-15(20-19-14-5-3-2-4-13(14)18(26)27)17(25)22(21-10)16(24)11-6-8-12(9-7-11)23(28)29/h2-9,15H,1H3,(H,26,27)