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

Systemtic Name: [(2S)-3-(3-acetamido-4-acetyloxy-2-nitro-phenyl)-2-(methoxycarbonylamino)propyl] ethanoate Openeye Name: [(2S)-3-(3-acetamido-4-acetoxy-2-nitro-phenyl)-2-(methoxycarbonylamino)propyl] acetate CAS Name: acetic acid [(2S)-3-(3-acetamido-4-acetyloxy-2-nitrophenyl)-2-(methoxycarbonylamino)propyl] ester IUPAC Name: [(2S)-3-(3-acetamido-4-acetyloxy-2-nitrophenyl)-2-(methoxycarbonylamino)propyl] acetate Traditional Name: acetic acid [(2S)-3-(3-acetamido-4-acetoxy-2-nitro-phenyl)-2-(carbomethoxyamino)propyl] ester Formula: C17H21N3O9 MolecularWeight: 411.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])CC(COC(=O)C)NC(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1[N+](=O)[O-])C[C@@H](COC(=O)C)NC(=O)OC)OC(=O)C

InChI

InChI=1S/C17H21N3O9/c1-9(21)18-15-14(29-11(3)23)6-5-12(16(15)20(25)26)7-13(8-28-10(2)22)19-17(24)27-4/h5-6,13H,7-8H2,1-4H3,(H,18,21)(H,19,24)/t13-/m0/s1