[2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [2-oxidanylidene-2-[phenyl(prop-2-enyl)amino]ethyl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [2-(N-allylanilino)-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [2-oxo-2-(N-prop-2-enylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-prop-2-enylanilino)ethyl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [2-(N-allylanilino)-2-keto-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(CC=C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OCC(=O)N(CC=C)C3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3/c1-3-15-24(19-7-5-4-6-8-19)21(26)16-28-22(27)18-9-11-20(12-10-18)25-17(2)13-14-23-25/h3-14H,1,15-16H2,2H3