(2-chloranyl-6-fluoranyl-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C20H20ClFN2O2 MolecularWeight: 374.836403

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C20H20ClFN2O2/c1-4-8-24-13(2)9-15(14(24)3)10-16(11-23)20(25)26-12-17-18(21)6-5-7-19(17)22/h5-7,9-10H,4,8,12H2,1-3H3/b16-10+