[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=NN(C=C2OC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-14-9-15(2)11-16(10-14)22-19(25)13-28-21(26)20-18(27-3)12-24(23-20)17-7-5-4-6-8-17/h4-12H,13H2,1-3H3,(H,22,25)