2-chloranylprop-2-enyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: 2-chloranylprop-2-enyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Openeye Name: 2-chloroallyl (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]-2-propenoic acid 2-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl (E)-2-cyano-3-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid 2-chloroallyl ester Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=C(C#N)C(=O)OCC(=C)Cl

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)/C=C(\C#N)/C(=O)OCC(=C)Cl

InChI

InChI=1S/C17H21ClN2O2/c1-11(2)9-20-13(4)6-15(14(20)5)7-16(8-19)17(21)22-10-12(3)18/h6-7,11H,3,9-10H2,1-2,4-5H3/b16-7+