[(2S,5S)-6-acetyloxy-5-azido-1-[(2,4-dinitrophenyl)amino]-6-methoxy-hexan-2-yl] ethanoate

Systemtic Name: [(2S,5S)-6-acetyloxy-5-azido-1-[(2,4-dinitrophenyl)amino]-6-methoxy-hexan-2-yl] ethanoate Openeye Name: [(1S,4S)-5-acetoxy-4-azido-1-[(2,4-dinitroanilino)methyl]-5-methoxy-pentyl] acetate CAS Name: acetic acid [(2S,5S)-6-acetyloxy-5-azido-1-(2,4-dinitroanilino)-6-methoxyhexan-2-yl] ester IUPAC Name: [(2S,5S)-6-acetyloxy-5-azido-1-(2,4-dinitroanilino)-6-methoxyhexan-2-yl] acetate Traditional Name: acetic acid [(1S,4S)-5-acetoxy-4-azido-1-[(2,4-dinitroanilino)methyl]-5-methoxy-pentyl] ester Formula: C17H22N6O9 MolecularWeight: 454.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CCC(C(OC)OC(=O)C)N=[N+]=[N-])CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)O[C@@H](CC[C@@H](C(OC)OC(=O)C)N=[N+]=[N-])CNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O9/c1-10(24)31-13(5-7-15(20-21-18)17(30-3)32-11(2)25)9-19-14-6-4-12(22(26)27)8-16(14)23(28)29/h4,6,8,13,15,17,19H,5,7,9H2,1-3H3/t13-,15-,17?/m0/s1