[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C18H17N3O7/c22-16(12-28-18(24)13-3-1-4-14(11-13)21(25)26)19-6-8-20(9-7-19)17(23)15-5-2-10-27-15/h1-5,10-11H,6-9,12H2