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

Systemtic Name: 2-[[1-(3-chloranyl-5-nitro-phenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-(3-chloro-5-nitro-benzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-[(3-chloro-5-nitrophenyl)-oxomethyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-(3-chloro-5-nitrobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(3-chloro-5-nitro-benzoyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C18H12ClN5O6 MolecularWeight: 429.77078

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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(=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O6/c1-9-15(21-20-14-5-3-2-4-13(14)18(27)28)17(26)23(22-9)16(25)10-6-11(19)8-12(7-10)24(29)30/h2-8,15H,1H3,(H,27,28)