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

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
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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)


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