5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole

Systemtic Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-1,2,3,4-tetrazole Openeye Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-tetrazole CAS Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-2-pyrrolyl]-2H-tetrazole IUPAC Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitropyrrol-2-yl]-2H-tetrazole Traditional Name: 5-[1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-nitro-pyrrol-2-yl]-2H-tetrazole Formula: C22H27N9O2 MolecularWeight: 449.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN(C(=N1)CCCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N9O2/c1-3-5-7-19-23-20(8-6-4-2)30(26-19)15-16-9-11-17(12-10-16)29-14-13-18(31(32)33)21(29)22-24-27-28-25-22/h9-14H,3-8,15H2,1-2H3,(H,24,25,27,28)