4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-[(4-nitrophenyl)methyl]-1,4-diazepan-5-one Traditional Name: 4-[(1S)-3-methyl-1-methylol-butyl]-1-(4-nitrobenzyl)-1,4-diazepan-5-one Formula: C18H27N3O4 MolecularWeight: 349.42468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCN(CCC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H27N3O4/c1-14(2)11-17(13-22)20-10-9-19(8-7-18(20)23)12-15-3-5-16(6-4-15)21(24)25/h3-6,14,17,22H,7-13H2,1-2H3/t17-/m0/s1