N-[[(2S,5S,6R)-5-azido-6-methoxy-oxan-2-yl]methyl]-2,4-dinitro-aniline

Systemtic Name: N-[[(2S,5S,6R)-5-azido-6-methoxy-oxan-2-yl]methyl]-2,4-dinitro-aniline Openeye Name: N-[[(2S,5S,6R)-5-azido-6-methoxy-tetrahydropyran-2-yl]methyl]-2,4-dinitro-aniline CAS Name: N-[[(2S,5S,6R)-5-azido-6-methoxy-2-oxanyl]methyl]-2,4-dinitroaniline IUPAC Name: N-[[(2S,5S,6R)-5-azido-6-methoxyoxan-2-yl]methyl]-2,4-dinitroaniline Traditional Name: [(2S,5S,6R)-5-azido-6-methoxy-tetrahydropyran-2-yl]methyl-(2,4-dinitrophenyl)amine Formula: C13H16N6O6 MolecularWeight: 352.30274

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCC(O1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

Isomeric SMILES

CO[C@H]1[C@H](CC[C@H](O1)CNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N=[N+]=[N-]

InChI

InChI=1S/C13H16N6O6/c1-24-13-11(16-17-14)5-3-9(25-13)7-15-10-4-2-8(18(20)21)6-12(10)19(22)23/h2,4,6,9,11,13,15H,3,5,7H2,1H3/t9-,11-,13+/m0/s1