(E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Openeye Name: (E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile CAS Name: (E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenenitrile IUPAC Name: (E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enenitrile Traditional Name: (E)-2-(3,4-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylonitrile Formula: C18H14N2O6 MolecularWeight: 354.31356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C(=C\C2=CC3=C(C=C2[N+](=O)[O-])OCO3)/C#N)OC

InChI

InChI=1S/C18H14N2O6/c1-23-15-4-3-11(6-16(15)24-2)13(9-19)5-12-7-17-18(26-10-25-17)8-14(12)20(21)22/h3-8H,10H2,1-2H3/b13-5-