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

Systemtic Name: tert-butyl N-[5-[(5-methyl-2-nitro-phenyl)amino]-1-oxidanyl-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(hydroxymethyl)-4-(5-methyl-2-nitro-anilino)butyl]carbamate CAS Name: N-[1-hydroxy-5-(5-methyl-2-nitroanilino)pentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-hydroxy-5-(5-methyl-2-nitroanilino)pentan-2-yl]carbamate Traditional Name: N-[4-(5-methyl-2-nitro-anilino)-1-methylol-butyl]carbamic acid tert-butyl ester Formula: C17H27N3O5 MolecularWeight: 353.41338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O5/c1-12-7-8-15(20(23)24)14(10-12)18-9-5-6-13(11-21)19-16(22)25-17(2,3)4/h7-8,10,13,18,21H,5-6,9,11H2,1-4H3,(H,19,22)