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

Systemtic Name: 2-[[1-[3-[(4-carboxyphenyl)amino]-3-oxidanylidene-propanoyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[[1-[3-(4-carboxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 2-[[1-[3-(4-carboxyanilino)-1,3-dioxopropyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 2-[[1-[3-(4-carboxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[[1-[3-(4-carboxyanilino)-3-keto-propanoyl]-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C21H17N5O7 MolecularWeight: 451.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H17N5O7/c1-11-18(24-23-15-5-3-2-4-14(15)21(32)33)19(29)26(25-11)17(28)10-16(27)22-13-8-6-12(7-9-13)20(30)31/h2-9,18H,10H2,1H3,(H,22,27)(H,30,31)(H,32,33)