(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C2=CC=CC=C2)C(=O)OC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C2=CC=CC=C2)C(=O)OC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H19ClN2O4/c1-15-18(21(23)25(24-15)17-11-7-4-8-12-17)13-14-19(26)29-20(22(27)28-2)16-9-5-3-6-10-16/h3-14,20H,1-2H3/b14-13+