tert-butyl N-[2-methoxy-5-[3-[(2-nitrophenyl)amino]propanoylamino]phenyl]carbamate

Systemtic Name: tert-butyl N-[2-methoxy-5-[3-[(2-nitrophenyl)amino]propanoylamino]phenyl]carbamate Openeye Name: tert-butyl N-[2-methoxy-5-[3-(2-nitroanilino)propanoylamino]phenyl]carbamate CAS Name: N-[2-methoxy-5-[[3-(2-nitroanilino)-1-oxopropyl]amino]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-methoxy-5-[3-(2-nitroanilino)propanoylamino]phenyl]carbamate Traditional Name: N-[2-methoxy-5-[3-(2-nitroanilino)propanoylamino]phenyl]carbamic acid tert-butyl ester Formula: C21H26N4O6 MolecularWeight: 430.45434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)NC(=O)CCNC2=CC=CC=C2[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N4O6/c1-21(2,3)31-20(27)24-16-13-14(9-10-18(16)30-4)23-19(26)11-12-22-15-7-5-6-8-17(15)25(28)29/h5-10,13,22H,11-12H2,1-4H3,(H,23,26)(H,24,27)