[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenoic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C18H16N2O8/c1-11(18(22)19-9-13-3-2-6-25-13)28-17(21)5-4-12-7-15-16(27-10-26-15)8-14(12)20(23)24/h2-8,11H,9-10H2,1H3,(H,19,22)/b5-4+/t11-/m1/s1