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

Systemtic Name: 2-ethoxy-3-[[4-[2-[2-[[4-(nitrooxymethyl)phenyl]methoxycarbonyloxymethyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-ethoxy-3-[[4-[2-[2-[[4-(nitrooxymethyl)phenyl]methoxycarbonyloxymethyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid CAS Name: 2-ethoxy-3-[[4-[2-[2-[[[4-(nitrooxymethyl)phenyl]methoxy-oxomethoxy]methyl]-5-tetrazolyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-ethoxy-3-[[4-[2-[2-[[4-(nitrooxymethyl)phenyl]methoxycarbonyloxymethyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-[[4-(nitrooxymethyl)benzyl]oxycarbonyloxymethyl]tetrazol-5-yl]phenyl]benzyl]benzimidazole-4-carboxylic acid 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=NN(N=N5)COC(=O)OCC6=CC=C(C=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)COC(=O)OCC6=CC=C(C=C6)CO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C34H29N7O9/c1-2-47-33-35-29-9-5-8-28(32(42)43)30(29)39(33)18-22-14-16-25(17-15-22)26-6-3-4-7-27(26)31-36-38-40(37-31)21-49-34(44)48-19-23-10-12-24(13-11-23)20-50-41(45)46/h3-17H,2,18-21H2,1H3,(H,42,43)