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

Systemtic Name: 2-[(3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitro-benzoic acid Openeye Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-5-nitro-benzoic acid CAS Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]-5-nitrobenzoic acid IUPAC Name: 2-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]-5-nitrobenzoic acid Traditional Name: 2-[(5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl)azo]-5-nitro-benzoic acid Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H13N5O5/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(26)27)9-13(14)17(24)25/h2-9,15H,1H3,(H,24,25)