[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-phenylpyrazol-4-yl)ethanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] 2-(1-phenylpyrazol-4-yl)acetate CAS Name: 2-(1-phenyl-4-pyrazolyl)acetic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] 2-(1-phenylpyrazol-4-yl)acetate Traditional Name: 2-(1-phenylpyrazol-4-yl)acetic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CC2=CN(N=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O3/c1-15-8-9-18(10-16(15)2)23-20(25)14-27-21(26)11-17-12-22-24(13-17)19-6-4-3-5-7-19/h3-10,12-13H,11,14H2,1-2H3,(H,23,25)