[2-(nitrooxymethyl)phenyl] 2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Systemtic Name: [2-(nitrooxymethyl)phenyl] 2-butyl-5-chloranyl-3-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Openeye Name: [2-(nitrooxymethyl)phenyl] 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate CAS Name: 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolecarboxylic acid [2-(nitrooxymethyl)phenyl] ester IUPAC Name: [2-(nitrooxymethyl)phenyl] 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate Traditional Name: 2-butyl-5-chloro-3-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]imidazole-4-carboxylic acid [2-(nitrooxymethyl)phenyl] ester Formula: C29H26ClN7O5 MolecularWeight: 588.01364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC5=CC=CC=C5CO[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OC5=CC=CC=C5CO[N+](=O)[O-])Cl

InChI

InChI=1S/C29H26ClN7O5/c1-2-3-12-25-31-27(30)26(29(38)42-24-11-7-4-8-21(24)18-41-37(39)40)36(25)17-19-13-15-20(16-14-19)22-9-5-6-10-23(22)28-32-34-35-33-28/h4-11,13-16H,2-3,12,17-18H2,1H3,(H,32,33,34,35)