tert-butyl N-[1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2-[(2-nitrophenyl)amino]ethylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-benzyl-2-[2-(2-nitroanilino)ethylamino]-2-oxo-ethyl]carbamate CAS Name: N-[1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2-(2-nitroanilino)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[1-benzyl-2-keto-2-[2-(2-nitroanilino)ethylamino]ethyl]carbamic acid tert-butyl ester Formula: C22H28N4O5 MolecularWeight: 428.48152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O5/c1-22(2,3)31-21(28)25-18(15-16-9-5-4-6-10-16)20(27)24-14-13-23-17-11-7-8-12-19(17)26(29)30/h4-12,18,23H,13-15H2,1-3H3,(H,24,27)(H,25,28)