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

Systemtic Name: 3-[[1-[3-[(3-methoxyphenyl)amino]-3-oxidanylidene-propanoyl]-3-methyl-5-oxidanylidene-pyrazolidin-4-yl]diazenyl]benzoic acid Openeye Name: 3-[1-[3-(3-methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-pyrazolidin-4-yl]azobenzoic acid CAS Name: 3-[[1-[3-(3-methoxyanilino)-1,3-dioxopropyl]-3-methyl-5-oxo-4-pyrazolidinyl]azo]benzoic acid IUPAC Name: 3-[[1-[3-(3-methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxopyrazolidin-4-yl]diazenyl]benzoic acid Traditional Name: 3-[5-keto-1-[3-keto-3-(m-anisidino)propanoyl]-3-methyl-pyrazolidin-4-yl]azobenzoic acid Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N(N1)C(=O)CC(=O)NC2=CC(=CC=C2)OC)N=NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1C(C(=O)N(N1)C(=O)CC(=O)NC2=CC(=CC=C2)OC)N=NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H21N5O6/c1-12-19(24-23-15-7-3-5-13(9-15)21(30)31)20(29)26(25-12)18(28)11-17(27)22-14-6-4-8-16(10-14)32-2/h3-10,12,19,25H,11H2,1-2H3,(H,22,27)(H,30,31)