1-[2-(nitrooxymethyl)phenoxy]carbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Systemtic Name: 1-[2-(nitrooxymethyl)phenoxy]carbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate Openeye Name: 1-[2-(nitrooxymethyl)phenoxy]carbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate CAS Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid 1-[[2-(nitrooxymethyl)phenoxy]-oxomethoxy]ethyl ester IUPAC Name: 1-[2-(nitrooxymethyl)phenoxy]carbonyloxyethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate Traditional Name: 2-ethoxy-3-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]benzimidazole-4-carboxylic acid 1-[2-(nitrooxymethyl)phenoxy]carbonyloxyethyl ester Formula: C34H29N7O9 MolecularWeight: 679.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6=CC=CC=C6CO[N+](=O)[O-]

Isomeric SMILES

CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6=CC=CC=C6CO[N+](=O)[O-]

InChI

InChI=1S/C34H29N7O9/c1-3-46-33-35-28-13-8-12-27(32(42)48-21(2)49-34(43)50-29-14-7-4-9-24(29)20-47-41(44)45)30(28)40(33)19-22-15-17-23(18-16-22)25-10-5-6-11-26(25)31-36-38-39-37-31/h4-18,21H,3,19-20H2,1-2H3,(H,36,37,38,39)