methyl (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid methyl ester Formula: C14H18N2O2 MolecularWeight: 246.30492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C=C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C14H18N2O2/c1-9(2)16-10(3)6-12(11(16)4)7-13(8-15)14(17)18-5/h6-7,9H,1-5H3/b13-7+