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

Systemtic Name: 4-[[3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[[3-methyl-1-[4-(3-nitrophenyl)thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 4-[[3-methyl-1-[4-(3-nitrophenyl)-2-thiazolyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 4-[[3-methyl-1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[[5-keto-3-methyl-1-[4-(3-nitrophenyl)thiazol-2-yl]-2-pyrazolin-4-yl]azo]benzoic acid Formula: C20H14N6O5S MolecularWeight: 450.42736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N6O5S/c1-11-17(23-22-14-7-5-12(6-8-14)19(28)29)18(27)25(24-11)20-21-16(10-32-20)13-3-2-4-15(9-13)26(30)31/h2-10,17H,1H3,(H,28,29)