3-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]-1-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 3-[3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]-1-phenyl-pyrazole-4-carboxylic acid Openeye Name: 3-[3-[(4-hydroxy-4-oxo-butanoyl)amino]phenyl]-1-phenyl-pyrazole-4-carboxylic acid CAS Name: 3-[3-[(4-hydroxy-1,4-dioxobutyl)amino]phenyl]-1-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 3-[3-[(4-hydroxy-4-oxobutanoyl)amino]phenyl]-1-phenylpyrazole-4-carboxylic acid Traditional Name: 3-[3-[(4-hydroxy-4-keto-butanoyl)amino]phenyl]-1-phenyl-pyrazole-4-carboxylic acid Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)NC(=O)CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)NC(=O)CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H17N3O5/c24-17(9-10-18(25)26)21-14-6-4-5-13(11-14)19-16(20(27)28)12-23(22-19)15-7-2-1-3-8-15/h1-8,11-12H,9-10H2,(H,21,24)(H,25,26)(H,27,28)