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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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