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

Systemtic Name: 2-[[1-(2-bromophenyl)carbonyl-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-(2-bromobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-[(2-bromophenyl)-oxomethyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-(2-bromobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-(2-bromobenzoyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C18H13BrN4O4 MolecularWeight: 429.22422

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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=C3Br

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H13BrN4O4/c1-10-15(21-20-14-9-5-3-7-12(14)18(26)27)17(25)23(22-10)16(24)11-6-2-4-8-13(11)19/h2-9,15H,1H3,(H,26,27)