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

Systemtic Name: 4-[[3-methyl-1-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propanoyl]-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[[3-methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 4-[[3-methyl-1-[3-(4-methylanilino)-1,3-dioxopropyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[[5-keto-1-[3-keto-3-(p-toluidino)propanoyl]-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H19N5O5/c1-12-3-7-15(8-4-12)22-17(27)11-18(28)26-20(29)19(13(2)25-26)24-23-16-9-5-14(6-10-16)21(30)31/h3-10,19H,11H2,1-2H3,(H,22,27)(H,30,31)