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

Systemtic Name: 2-ethoxy-3-[[4-[2-[2-[2-(2-nitrooxyethoxy)ethoxycarbonyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-ethoxy-3-[[4-[2-[2-[2-(2-nitrooxyethoxy)ethoxycarbonyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid CAS Name: 2-ethoxy-3-[[4-[2-[2-[2-(2-nitrooxyethoxy)ethoxy-oxomethyl]-5-tetrazolyl]phenyl]phenyl]methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-ethoxy-3-[[4-[2-[2-[2-(2-nitrooxyethoxy)ethoxycarbonyl]tetrazol-5-yl]phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-ethoxy-3-[4-[2-[2-[2-(2-nitrooxyethoxy)ethoxycarbonyl]tetrazol-5-yl]phenyl]benzyl]benzimidazole-4-carboxylic acid Formula: C29H27N7O9 MolecularWeight: 617.56618

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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(=O)OCCOCCO[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(=O)OCCOCCO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C29H27N7O9/c1-2-43-28-30-24-9-5-8-23(27(37)38)25(24)34(28)18-19-10-12-20(13-11-19)21-6-3-4-7-22(21)26-31-33-35(32-26)29(39)44-16-14-42-15-17-45-36(40)41/h3-13H,2,14-18H2,1H3,(H,37,38)