ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate CAS Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]-2-pyrrolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[1-[(6-nitro-1,3-benzodioxol-5-yl)methyl]pyrrol-2-yl]acrylic acid ethyl ester Formula: C18H15N3O6 MolecularWeight: 369.3282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CN1CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N

InChI

InChI=1S/C18H15N3O6/c1-2-25-18(22)12(9-19)6-14-4-3-5-20(14)10-13-7-16-17(27-11-26-16)8-15(13)21(23)24/h3-8H,2,10-11H2,1H3/b12-6+