2-[[1-(3-oxidanylidene-3-phenylazanyl-propanoyl)-3,5-diphenyl-pyrazol-4-yl]diazenyl]benzoic acid

Systemtic Name: 2-[[1-(3-oxidanylidene-3-phenylazanyl-propanoyl)-3,5-diphenyl-pyrazol-4-yl]diazenyl]benzoic acid Openeye Name: 2-[1-(3-anilino-3-oxo-propanoyl)-3,5-diphenyl-pyrazol-4-yl]azobenzoic acid CAS Name: 2-[[1-(3-anilino-1,3-dioxopropyl)-3,5-diphenyl-4-pyrazolyl]azo]benzoic acid IUPAC Name: 2-[[1-(3-anilino-3-oxopropanoyl)-3,5-diphenylpyrazol-4-yl]diazenyl]benzoic acid Traditional Name: 2-[1-(3-anilino-3-keto-propanoyl)-3,5-diphenyl-pyrazol-4-yl]azobenzoic acid Formula: C31H23N5O4 MolecularWeight: 529.54542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4)N=NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=CC=C3)C4=CC=CC=C4)N=NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C31H23N5O4/c37-26(32-23-16-8-3-9-17-23)20-27(38)36-30(22-14-6-2-7-15-22)29(28(35-36)21-12-4-1-5-13-21)34-33-25-19-11-10-18-24(25)31(39)40/h1-19H,20H2,(H,32,37)(H,39,40)