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

Systemtic Name: (4-nitrophenyl)methyl (NE)-N-[(4-pyrrolidin-2-ylcarbonylpiperazin-1-yl)methylidene]carbamate Openeye Name: (4-nitrophenyl)methyl (NE)-N-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methylene]carbamate CAS Name: (NE)-N-[[4-[oxo(2-pyrrolidinyl)methyl]-1-piperazinyl]methylidene]carbamic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (NE)-N-[[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]methylidene]carbamate Traditional Name: (NE)-N-[(4-prolylpiperazino)methylene]carbamic acid (4-nitrobenzyl) ester Formula: C18H23N5O5 MolecularWeight: 389.40572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N2CCN(CC2)C=NC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC(NC1)C(=O)N2CCN(CC2)/C=N/C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O5/c24-17(16-2-1-7-19-16)22-10-8-21(9-11-22)13-20-18(25)28-12-14-3-5-15(6-4-14)23(26)27/h3-6,13,16,19H,1-2,7-12H2/b20-13+