2-ethoxy-3-[[4-[2-[2-[1-[[3-(nitrooxymethyl)phenyl]methoxycarbonyloxy]ethyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-ethoxy-3-[[4-[2-[2-[1-[[3-(nitrooxymethyl)phenyl]methoxycarbonyloxy]ethyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-ethoxy-3-[[4-[2-[2-[1-[[3-(nitrooxymethyl)phenyl]methoxycarbonyloxy]ethyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid CAS Name: 2-ethoxy-3-[[4-[2-[2-[1-[[3-(nitrooxymethyl)phenyl]methoxy-oxomethoxy]ethyl]-5-tetrazolyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-ethoxy-3-[[4-[2-[2-[1-[[3-(nitrooxymethyl)phenyl]methoxycarbonyloxy]ethyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-[1-[3-(nitrooxymethyl)benzyl]oxycarbonyloxyethyl]tetrazol-5-yl]phenyl]benzyl]benzimidazole-4-carboxylic acid Formula: C35H31N7O9 MolecularWeight: 693.66214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C)OC(=O)OCC6=CC(=CC=C6)CO[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C)OC(=O)OCC6=CC(=CC=C6)CO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C35H31N7O9/c1-3-48-34-36-30-13-7-12-29(33(43)44)31(30)40(34)19-23-14-16-26(17-15-23)27-10-4-5-11-28(27)32-37-39-41(38-32)22(2)51-35(45)49-20-24-8-6-9-25(18-24)21-50-42(46)47/h4-18,22H,3,19-21H2,1-2H3,(H,43,44)