[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)C=CC2=C(N(N=C2C)C)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)/C=C/C2=C(N(N=C2C)C)Cl

InChI

InChI=1S/C19H21ClN2O3/c1-5-14-6-8-15(9-7-14)18(24)13(3)25-17(23)11-10-16-12(2)21-22(4)19(16)20/h6-11,13H,5H2,1-4H3/b11-10+