[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C16H16N2O8 MolecularWeight: 364.30684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2=CC=CO2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N2O8/c1-23-13-6-11(12(18(21)22)7-14(13)24-2)16(20)26-9-15(19)17-8-10-4-3-5-25-10/h3-7H,8-9H2,1-2H3,(H,17,19)