tert-butyl N-[(3-nitro-7-phenylmethoxy-quinolin-4-yl)amino]carbamate

Systemtic Name: tert-butyl N-[(3-nitro-7-phenylmethoxy-quinolin-4-yl)amino]carbamate Openeye Name: tert-butyl N-[(7-benzyloxy-3-nitro-4-quinolyl)amino]carbamate CAS Name: N-[(3-nitro-7-phenylmethoxy-4-quinolinyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-nitro-7-phenylmethoxyquinolin-4-yl)amino]carbamate Traditional Name: N-[(7-benzoxy-3-nitro-4-quinolyl)amino]carbamic acid tert-butyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NNC1=C2C=CC(=CC2=NC=C1[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-21(2,3)30-20(26)24-23-19-16-10-9-15(29-13-14-7-5-4-6-8-14)11-17(16)22-12-18(19)25(27)28/h4-12H,13H2,1-3H3,(H,22,23)(H,24,26)