(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-N-benzyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-N-benzyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-benzyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C18H16N2O5 MolecularWeight: 340.33004

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCC3=CC=CC=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCC3=CC=CC=C3)OCO1

InChI

InChI=1S/C18H16N2O5/c21-17(19-10-13-4-2-1-3-5-13)7-6-14-8-16(20(22)23)9-15-11-24-12-25-18(14)15/h1-9H,10-12H2,(H,19,21)/b7-6+