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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H17N3O9 MolecularWeight: 407.33158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O9/c1-26-13-6-11(12(20(24)25)7-14(13)27-2)16(22)29-9-15(21)19-17(23)18-8-10-4-3-5-28-10/h3-7H,8-9H2,1-2H3,(H2,18,19,21,23)