(E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(2-methoxy-5-nitro-phenyl)acrylamide Formula: C17H14N2O6 MolecularWeight: 342.30286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O6/c1-23-14-6-4-12(19(21)22)9-13(14)18-17(20)7-3-11-2-5-15-16(8-11)25-10-24-15/h2-9H,10H2,1H3,(H,18,20)/b7-3+