3-[[1-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propanoyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 3-[[1-[3-[(2-methoxyphenyl)amino]-3-oxidanylidene-propanoyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 3-[[1-[3-(2-methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 3-[[1-[3-(2-methoxyanilino)-1,3-dioxopropyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 3-[[1-[3-(2-methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 3-[[5-keto-1-[3-keto-3-(o-anisidino)propanoyl]-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C21H19N5O6 MolecularWeight: 437.40546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC(=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H19N5O6/c1-12-19(24-23-14-7-5-6-13(10-14)21(30)31)20(29)26(25-12)18(28)11-17(27)22-15-8-3-4-9-16(15)32-2/h3-10,19H,11H2,1-2H3,(H,22,27)(H,30,31)