methyl (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[5-(chloromethyl)-3,4-dimethyl-1H-pyrrol-2-yl]-2-cyano-acrylic acid methyl ester Formula: C12H13ClN2O2 MolecularWeight: 252.69682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C)C=C(C#N)C(=O)OC)CCl

Isomeric SMILES

CC1=C(NC(=C1C)/C=C(\C#N)/C(=O)OC)CCl

InChI

InChI=1S/C12H13ClN2O2/c1-7-8(2)11(5-13)15-10(7)4-9(6-14)12(16)17-3/h4,15H,5H2,1-3H3/b9-4+