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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)C(C)CC)CC2=CC=C(C=C2)N3C(=CC=C3[N+](=O)[O-])C4=NNN=N4

Isomeric SMILES

CCCCC1=NN(C(=N1)C(C)CC)CC2=CC=C(C=C2)N3C(=CC=C3[N+](=O)[O-])C4=NNN=N4

InChI

InChI=1S/C22H27N9O2/c1-4-6-7-19-23-22(15(3)5-2)29(26-19)14-16-8-10-17(11-9-16)30-18(21-24-27-28-25-21)12-13-20(30)31(32)33/h8-13,15H,4-7,14H2,1-3H3,(H,24,25,27,28)