[3-(4-nitrophenyl)carbonyloxy-5-(2-oxidanylidene-1,3-diazepan-1-yl)oxolan-2-yl]methyl 4-nitrobenzoate

Systemtic Name: [3-(4-nitrophenyl)carbonyloxy-5-(2-oxidanylidene-1,3-diazepan-1-yl)oxolan-2-yl]methyl 4-nitrobenzoate Openeye Name: [3-(4-nitrobenzoyl)oxy-5-(2-oxo-1,3-diazepan-1-yl)tetrahydrofuran-2-yl]methyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [3-[(4-nitrophenyl)-oxomethoxy]-5-(2-oxo-1,3-diazepan-1-yl)-2-oxolanyl]methyl ester IUPAC Name: [3-(4-nitrobenzoyl)oxy-5-(2-oxo-1,3-diazepan-1-yl)oxolan-2-yl]methyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [5-(2-keto-1,3-diazepan-1-yl)-3-(4-nitrobenzoyl)oxy-tetrahydrofuran-2-yl]methyl ester Formula: C24H24N4O10 MolecularWeight: 528.46816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)NC1)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(=O)NC1)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O10/c29-22(15-3-7-17(8-4-15)27(32)33)36-14-20-19(13-21(37-20)26-12-2-1-11-25-24(26)31)38-23(30)16-5-9-18(10-6-16)28(34)35/h3-10,19-21H,1-2,11-14H2,(H,25,31)