[5-[4,5-bis(methylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-oxolan-2-yl]methyl nitrate

Systemtic Name: [5-[4,5-bis(methylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-oxolan-2-yl]methyl nitrate Openeye Name: [5-[4,5-bis(methylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl nitrate CAS Name: nitric acid [5-[4,5-bis(methylcarbamoyl)-1-imidazolyl]-3,4-dinitrooxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4,5-bis(methylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxyoxolan-2-yl]methyl nitrate Traditional Name: nitric acid [5-[4,5-bis(methylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C12H15N7O12 MolecularWeight: 449.2872

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(N(C=N1)C2C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NC

Isomeric SMILES

CNC(=O)C1=C(N(C=N1)C2C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NC

InChI

InChI=1S/C12H15N7O12/c1-13-10(20)6-7(11(21)14-2)16(4-15-6)12-9(31-19(26)27)8(30-18(24)25)5(29-12)3-28-17(22)23/h4-5,8-9,12H,3H2,1-2H3,(H,13,20)(H,14,21)