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

Systemtic Name: methyl (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-acrylic acid methyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C18H16N2O4/c1-11-6-13(7-14(9-19)18(21)22-3)12(2)20(11)15-4-5-16-17(8-15)24-10-23-16/h4-8H,10H2,1-3H3/b14-7+