tert-butyl N-[3-[methyl-[(4-nitrophenyl)methyl]amino]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[methyl-[(4-nitrophenyl)methyl]amino]propyl]carbamate Openeye Name: tert-butyl N-[3-[methyl-[(4-nitrophenyl)methyl]amino]propyl]carbamate CAS Name: N-[3-[methyl-[(4-nitrophenyl)methyl]amino]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[methyl-[(4-nitrophenyl)methyl]amino]propyl]carbamate Traditional Name: N-[3-[methyl-(4-nitrobenzyl)amino]propyl]carbamic acid tert-butyl ester Formula: C16H25N3O4 MolecularWeight: 323.3874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCN(C)CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCCN(C)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H25N3O4/c1-16(2,3)23-15(20)17-10-5-11-18(4)12-13-6-8-14(9-7-13)19(21)22/h6-9H,5,10-12H2,1-4H3,(H,17,20)