(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]prop-2-enamide

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]prop-2-enamide Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]prop-2-enamide CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-2-propenamide IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-hydroxy-5-nitrophenyl)methyl]prop-2-enamide Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-hydroxy-5-nitro-benzyl)acrylamide Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C=CC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N2O6/c21-15-4-3-14(20(23)24)10-13(15)11-19-18(22)6-2-12-1-5-16-17(9-12)26-8-7-25-16/h1-6,9-10,21H,7-8,11H2,(H,19,22)/b6-2+