(E)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(2-furylmethylamino)-2-oxo-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(2-furanylmethylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(2-furfurylamino)-2-keto-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=CC(=O)NCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C/C(=O)NCC(=O)NCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c21-16(19-9-17(22)18-8-12-2-1-5-25-12)4-3-11-6-14-15(27-10-26-14)7-13(11)20(23)24/h1-7H,8-10H2,(H,18,22)(H,19,21)/b4-3+