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

Systemtic Name: [2-oxidanylidene-2-(oxolan-2-ylmethylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-oxo-2-(2-oxolanylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-keto-2-(tetrahydrofurfurylamino)ethyl] ester Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)NCC2CCCO2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H20N2O8/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/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)