(E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxy-phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-[4-(1,3-benzodioxol-5-ylmethoxy)-3-methoxyphenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxy-4-piperonyloxy-phenyl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C25H18N2O7 MolecularWeight: 458.41962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)C2=CC(=CC=C2)[N+](=O)[O-])OCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H18N2O7/c1-31-23-10-16(9-19(13-26)25(28)18-3-2-4-20(12-18)27(29)30)5-7-21(23)32-14-17-6-8-22-24(11-17)34-15-33-22/h2-12H,14-15H2,1H3/b19-9+