(E)-3-(1,3-benzodioxol-5-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N2O6/c20-14-4-3-13(19(22)23)8-12(14)9-18-17(21)6-2-11-1-5-15-16(7-11)25-10-24-15/h1-8,20H,9-10H2,(H,18,21)/b6-2+