[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanyl-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanyl-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 4-hydroxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-hydroxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 4-hydroxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-hydroxy-1-phenyl-pyrazole-3-carboxylic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C=C2O)C3=CC=CC=C3)C

InChI

InChI=1S/C20H19N3O4/c1-13-8-9-15(10-14(13)2)21-18(25)12-27-20(26)19-17(24)11-23(22-19)16-6-4-3-5-7-16/h3-11,24H,12H2,1-2H3,(H,21,25)