[(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] (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 [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] (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 [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C17H15ClN2O4 MolecularWeight: 346.765

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC2CCOC2=O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)O[C@H]2CCOC2=O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClN2O4/c1-11-13(7-8-15(21)24-14-9-10-23-17(14)22)16(18)20(19-11)12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3/b8-7+/t14-/m0/s1