tert-butyl N-[5-[(5-methyl-2-nitro-phenyl)amino]-1-oxidanyl-1-phenyl-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[(5-methyl-2-nitro-phenyl)amino]-1-oxidanyl-1-phenyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[hydroxy(phenyl)methyl]-4-(5-methyl-2-nitro-anilino)butyl]carbamate CAS Name: N-[1-hydroxy-5-(5-methyl-2-nitroanilino)-1-phenylpentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hydroxy-5-(5-methyl-2-nitroanilino)-1-phenylpentan-2-yl]carbamate Traditional Name: N-[1-[hydroxy(phenyl)methyl]-4-(5-methyl-2-nitro-anilino)butyl]carbamic acid tert-butyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5/c1-16-12-13-20(26(29)30)19(15-16)24-14-8-11-18(25-22(28)31-23(2,3)4)21(27)17-9-6-5-7-10-17/h5-7,9-10,12-13,15,18,21,24,27H,8,11,14H2,1-4H3,(H,25,28)