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

Systemtic Name: ethyl (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(N(C(=C1)C)C2=CC3=C(C=C2)OCO3)C)/C#N

InChI

InChI=1S/C19H18N2O4/c1-4-23-19(22)15(10-20)8-14-7-12(2)21(13(14)3)16-5-6-17-18(9-16)25-11-24-17/h5-9H,4,11H2,1-3H3/b15-8+