5-butyl-2-(4-methoxy-2-nitro-phenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one

Systemtic Name: 5-butyl-2-(4-methoxy-2-nitro-phenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-(4-methoxy-2-nitro-phenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-(4-methoxy-2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-(4-methoxy-2-nitrophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-(4-methoxy-2-nitro-phenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C27H26N8O4 MolecularWeight: 526.54654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H26N8O4/c1-3-4-9-25-30-34(23-15-14-20(39-2)16-24(23)35(37)38)27(36)33(25)17-18-10-12-19(13-11-18)21-7-5-6-8-22(21)26-28-31-32-29-26/h5-8,10-16H,3-4,9,17H2,1-2H3,(H,28,29,31,32)