(4-nitrophenyl)methyl (NE)-N-[(4-pyrrolidin-2-ylcarbonyl-1,4-diazepan-1-yl)methylidene]carbamate

Systemtic Name: (4-nitrophenyl)methyl (NE)-N-[(4-pyrrolidin-2-ylcarbonyl-1,4-diazepan-1-yl)methylidene]carbamate Openeye Name: (4-nitrophenyl)methyl (NE)-N-[[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methylene]carbamate CAS Name: (NE)-N-[[4-[oxo(2-pyrrolidinyl)methyl]-1,4-diazepan-1-yl]methylidene]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (NE)-N-[[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methylidene]carbamate Traditional Name: (NE)-N-[(4-prolyl-1,4-diazepan-1-yl)methylene]carbamic acid (4-nitrobenzyl) ester Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c25-18(17-3-1-8-20-17)23-10-2-9-22(11-12-23)14-21-19(26)29-13-15-4-6-16(7-5-15)24(27)28/h4-7,14,17,20H,1-3,8-13H2/b21-14+