methyl N-[(2S)-1-(2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate

Systemtic Name: methyl N-[(2S)-1-(2-nitro-4-phenylmethoxy-phenyl)-3-oxidanyl-propan-2-yl]carbamate Openeye Name: methyl N-[(1S)-1-[(4-benzyloxy-2-nitro-phenyl)methyl]-2-hydroxy-ethyl]carbamate CAS Name: N-[(2S)-1-hydroxy-3-(2-nitro-4-phenylmethoxyphenyl)propan-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[(2S)-1-hydroxy-3-(2-nitro-4-phenylmethoxyphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-benzoxy-2-nitro-benzyl)-2-hydroxy-ethyl]carbamic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-25-18(22)19-15(11-21)9-14-7-8-16(10-17(14)20(23)24)26-12-13-5-3-2-4-6-13/h2-8,10,15,21H,9,11-12H2,1H3,(H,19,22)/t15-/m0/s1