(3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (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-3,3-dimethyl-butyl) ester Formula: C19H21ClN2O3 MolecularWeight: 360.83464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)C(C)(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O3/c1-13-15(10-11-17(24)25-12-16(23)19(2,3)4)18(20)22(21-13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3/b11-10+