[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-methoxy-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-methoxy-1-phenyl-3-pyrazolecarboxylic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate Traditional Name: 4-methoxy-1-phenyl-pyrazole-3-carboxylic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(N=C1C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=CN(N=C1C(=O)OCC(=O)N(CC=C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4/c1-3-14-24(17-10-6-4-7-11-17)20(26)16-29-22(27)21-19(28-2)15-25(23-21)18-12-8-5-9-13-18/h3-13,15H,1,14,16H2,2H3