[2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [2-(3-acetamido-4-oxidanyl-phenyl)-2-oxidanylidene-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [2-(3-acetamido-4-hydroxy-phenyl)-2-oxo-ethyl] 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-acetamido-4-hydroxyphenyl)-2-oxoethyl] 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [2-(3-acetamido-4-hydroxy-phenyl)-2-keto-ethyl] ester Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC(=NN2)C3=CC=CC=C3)O

InChI

InChI=1S/C20H17N3O5/c1-12(24)21-16-9-14(7-8-18(16)25)19(26)11-28-20(27)17-10-15(22-23-17)13-5-3-2-4-6-13/h2-10,25H,11H2,1H3,(H,21,24)(H,22,23)