[(2S)-3-(4-acetyloxy-3-nitro-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate

Systemtic Name: [(2S)-3-(4-acetyloxy-3-nitro-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate Openeye Name: [(2S)-3-(4-acetoxy-3-nitro-phenyl)-2-(methoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S)-3-(4-acetyloxy-3-nitrophenyl)-2-(methoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-(4-acetyloxy-3-nitrophenyl)-2-(methoxycarbonylamino)propyl] acetate Traditional Name: acetic acid [(2S)-3-(4-acetoxy-3-nitro-phenyl)-2-(carbomethoxyamino)propyl] ester Formula: C15H18N2O8 MolecularWeight: 354.31202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O8/c1-9(18)24-8-12(16-15(20)23-3)6-11-4-5-14(25-10(2)19)13(7-11)17(21)22/h4-5,7,12H,6,8H2,1-3H3,(H,16,20)/t12-/m0/s1