3-[[1-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propanoyl]-5-oxidanylidene-3-phenyl-pyrazolidin-4-yl]diazenyl]benzoic acid

Systemtic Name: 3-[[1-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propanoyl]-5-oxidanylidene-3-phenyl-pyrazolidin-4-yl]diazenyl]benzoic acid Openeye Name: 3-[1-[3-(3-methoxyanilino)-3-oxo-propanoyl]-5-oxo-3-phenyl-pyrazolidin-4-yl]azobenzoic acid CAS Name: 3-[[1-[3-(3-methoxyanilino)-1,3-dioxopropyl]-5-oxo-3-phenyl-4-pyrazolidinyl]azo]benzoic acid IUPAC Name: 3-[[1-[3-(3-methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid Traditional Name: 3-[5-keto-1-[3-keto-3-(m-anisidino)propanoyl]-3-phenyl-pyrazolidin-4-yl]azobenzoic acid Formula: C26H23N5O6 MolecularWeight: 501.49072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=O)C(C(N2)C3=CC=CC=C3)N=NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=O)C(C(N2)C3=CC=CC=C3)N=NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C26H23N5O6/c1-37-20-12-6-10-18(14-20)27-21(32)15-22(33)31-25(34)24(23(30-31)16-7-3-2-4-8-16)29-28-19-11-5-9-17(13-19)26(35)36/h2-14,23-24,30H,15H2,1H3,(H,27,32)(H,35,36)