tert-butyl N-[3-[(4-nitro-3-phenylmethoxy-phenyl)amino]-2-oxidanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-nitro-3-phenylmethoxy-phenyl)amino]-2-oxidanyl-propyl]carbamate Openeye Name: tert-butyl N-[3-(3-benzyloxy-4-nitro-anilino)-2-hydroxy-propyl]carbamate CAS Name: N-[2-hydroxy-3-(4-nitro-3-phenylmethoxyanilino)propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-hydroxy-3-(4-nitro-3-phenylmethoxyanilino)propyl]carbamate Traditional Name: N-[3-(3-benzoxy-4-nitro-anilino)-2-hydroxy-propyl]carbamic acid tert-butyl ester Formula: C21H27N3O6 MolecularWeight: 417.45558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CNC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CNC1=CC(=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2)O

InChI

InChI=1S/C21H27N3O6/c1-21(2,3)30-20(26)23-13-17(25)12-22-16-9-10-18(24(27)28)19(11-16)29-14-15-7-5-4-6-8-15/h4-11,17,22,25H,12-14H2,1-3H3,(H,23,26)