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

Systemtic Name: 4-[[3-methyl-5-oxidanylidene-1-(3-oxidanylidene-3-phenylazanyl-propanoyl)-4H-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 4-[[1-(3-anilino-3-oxo-propanoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid CAS Name: 4-[[1-(3-anilino-1,3-dioxopropyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid IUPAC Name: 4-[[1-(3-anilino-3-oxopropanoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 4-[[1-(3-anilino-3-keto-propanoyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]benzoic acid Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H17N5O5/c1-12-18(23-22-15-9-7-13(8-10-15)20(29)30)19(28)25(24-12)17(27)11-16(26)21-14-5-3-2-4-6-14/h2-10,18H,11H2,1H3,(H,21,26)(H,29,30)