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

Systemtic Name: [5-[4,5-bis(ethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-oxolan-2-yl]methyl nitrate Openeye Name: [5-[4,5-bis(ethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl nitrate CAS Name: nitric acid [5-[4,5-bis(ethylcarbamoyl)-1-imidazolyl]-3,4-dinitrooxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4,5-bis(ethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxyoxolan-2-yl]methyl nitrate Traditional Name: nitric acid [5-[4,5-bis(ethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H19N7O12 MolecularWeight: 477.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=C(N(C=N1)C2C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCC

Isomeric SMILES

CCNC(=O)C1=C(N(C=N1)C2C(C(C(O2)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCC

InChI

InChI=1S/C14H19N7O12/c1-3-15-12(22)8-9(13(23)16-4-2)18(6-17-8)14-11(33-21(28)29)10(32-20(26)27)7(31-14)5-30-19(24)25/h6-7,10-11,14H,3-5H2,1-2H3,(H,15,22)(H,16,23)