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

Systemtic Name: [5-[4,5-bis(phenethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-oxolan-2-yl]methyl nitrate Openeye Name: [5-[4,5-bis(phenethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl nitrate CAS Name: nitric acid [5-[4,5-bis[oxo-(phenethylamino)methyl]-1-imidazolyl]-3,4-dinitrooxy-2-oxolanyl]methyl ester IUPAC Name: [5-[4,5-bis(phenethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxyoxolan-2-yl]methyl nitrate Traditional Name: nitric acid [5-[4,5-bis(phenethylcarbamoyl)imidazol-1-yl]-3,4-dinitrooxy-tetrahydrofuran-2-yl]methyl ester Formula: C26H27N7O12 MolecularWeight: 629.53228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C=N2)C3C(C(C(O3)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)C2=C(N(C=N2)C3C(C(C(O3)CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27N7O12/c34-24(27-13-11-17-7-3-1-4-8-17)20-21(25(35)28-14-12-18-9-5-2-6-10-18)30(16-29-20)26-23(45-33(40)41)22(44-32(38)39)19(43-26)15-42-31(36)37/h1-10,16,19,22-23,26H,11-15H2,(H,27,34)(H,28,35)