(E)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-furfurylamino)-2-keto-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCC(=O)NCC3=CC=CO3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCC(=O)NCC3=CC=CO3)OCO1

InChI

InChI=1S/C18H17N3O7/c22-16(20-9-17(23)19-8-15-2-1-5-27-15)4-3-12-6-14(21(24)25)7-13-10-26-11-28-18(12)13/h1-7H,8-11H2,(H,19,23)(H,20,22)/b4-3+