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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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