2-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxy-5-nitro-phenyl)prop-2-enenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=C(C#N)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1C=C(C#N)C2=CC3=C(C=C2)OCO3)[N+](=O)[O-])OC

InChI

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