[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C20H21N3O9 MolecularWeight: 447.39544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H21N3O9/c1-29-16-10-13(14(23(27)28)11-17(16)30-2)20(26)32-12-18(24)21-5-7-22(8-6-21)19(25)15-4-3-9-31-15/h3-4,9-11H,5-8,12H2,1-2H3