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

Systemtic Name: [5-[4,5-bis(prop-2-enylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-oxolan-2-yl]methyl nitrate Openeye Name: [5-[4,5-bis(allylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl nitrate CAS Name: nitric acid [5-[4,5-bis[oxo-(prop-2-enylamino)methyl]-1-imidazolyl]-3,4-dinitrooxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4,5-bis(prop-2-enylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxyoxolan-2-yl]methyl nitrate Traditional Name: nitric acid [5-[4,5-bis(allylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C16H19N7O12 MolecularWeight: 501.36176

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Descriptors Computed from Structure

Canonical SMILES:

C=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=C

Isomeric SMILES

C=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=C

InChI

InChI=1S/C16H19N7O12/c1-3-5-17-14(24)10-11(15(25)18-6-4-2)20(8-19-10)16-13(35-23(30)31)12(34-22(28)29)9(33-16)7-32-21(26)27/h3-4,8-9,12-13,16H,1-2,5-7H2,(H,17,24)(H,18,25)