(phenylmethyl) N-[(2S)-4-nitro-3-oxidanyl-1-phenyl-pent-3-en-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-4-nitro-3-oxidanyl-1-phenyl-pent-3-en-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-benzyl-2-hydroxy-3-nitro-but-2-enyl]carbamate CAS Name: N-[(2S)-3-hydroxy-4-nitro-1-phenylpent-3-en-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-hydroxy-4-nitro-1-phenylpent-3-en-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-hydroxy-3-nitro-but-2-enyl]carbamic acid benzyl ester Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC(=C([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5/c1-14(21(24)25)18(22)17(12-15-8-4-2-5-9-15)20-19(23)26-13-16-10-6-3-7-11-16/h2-11,17,22H,12-13H2,1H3,(H,20,23)/t17-/m0/s1