[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H14N2O8 MolecularWeight: 362.29096

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H14N2O8/c19-15(17-8-10-2-1-3-23-10)9-26-16(20)11-6-13-14(25-5-4-24-13)7-12(11)18(21)22/h1-3,6-7H,4-5,8-9H2,(H,17,19)