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

Systemtic Name: [2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4-nitro-benzoate Openeye Name: [2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl] 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-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] 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid [2-[4-(2-furoyl)piperazino]-2-keto-ethyl] ester Formula: C18H16ClN3O7 MolecularWeight: 421.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O7/c19-14-10-12(22(26)27)3-4-13(14)18(25)29-11-16(23)20-5-7-21(8-6-20)17(24)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2