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

Systemtic Name: butyl (E)-3-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-cyano-prop-2-enoate Openeye Name: butyl (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 butyl ester IUPAC Name: butyl (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 butyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4/c1-4-5-8-25-21(24)17(12-22)10-16-9-14(2)23(15(16)3)18-6-7-19-20(11-18)27-13-26-19/h6-7,9-11H,4-5,8,13H2,1-3H3/b17-10+