(4-nitrophenyl)methyl 4-pyrrolidin-2-ylcarbonyl-1,4-diazepane-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-pyrrolidin-2-ylcarbonyl-1,4-diazepane-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-(pyrrolidine-2-carbonyl)-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo(2-pyrrolidinyl)methyl]-1,4-diazepane-1-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-(pyrrolidine-2-carbonyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-prolyl-1,4-diazepane-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O5 MolecularWeight: 376.40696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)N2CCCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O5/c23-17(16-3-1-8-19-16)20-9-2-10-21(12-11-20)18(24)27-13-14-4-6-15(7-5-14)22(25)26/h4-7,16,19H,1-3,8-13H2