tert-butyl N-[2-[(3-nitroquinolin-4-yl)amino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[(3-nitroquinolin-4-yl)amino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[(3-nitro-4-quinolyl)amino]ethyl]carbamate CAS Name: N-[2-[(3-nitro-4-quinolinyl)amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[(3-nitroquinolin-4-yl)amino]ethyl]carbamate Traditional Name: N-[2-[(3-nitro-4-quinolyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC1=C(C=NC2=CC=CC=C21)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O4/c1-16(2,3)24-15(21)18-9-8-17-14-11-6-4-5-7-12(11)19-10-13(14)20(22)23/h4-7,10H,8-9H2,1-3H3,(H,17,19)(H,18,21)