(E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(3,5-dimethoxyphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-24-13-6-12(7-14(8-13)25-2)19-18(21)4-3-11-5-16-17(27-10-26-16)9-15(11)20(22)23/h3-9H,10H2,1-2H3,(H,19,21)/b4-3+