tert-butyl N-[6-[(5-methyl-2-nitro-phenyl)amino]-2-oxidanyl-2-phenyl-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[6-[(5-methyl-2-nitro-phenyl)amino]-2-oxidanyl-2-phenyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-(1-hydroxy-1-phenyl-ethyl)-4-(5-methyl-2-nitro-anilino)butyl]carbamate CAS Name: N-[2-hydroxy-6-(5-methyl-2-nitroanilino)-2-phenylhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-hydroxy-6-(5-methyl-2-nitroanilino)-2-phenylhexan-3-yl]carbamate Traditional Name: N-[1-(1-hydroxy-1-phenyl-ethyl)-4-(5-methyl-2-nitro-anilino)butyl]carbamic acid tert-butyl ester Formula: C24H33N3O5 MolecularWeight: 443.53592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33N3O5/c1-17-13-14-20(27(30)31)19(16-17)25-15-9-12-21(26-22(28)32-23(2,3)4)24(5,29)18-10-7-6-8-11-18/h6-8,10-11,13-14,16,21,25,29H,9,12,15H2,1-5H3,(H,26,28)