5-nitro-1-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)methyl]indole

Systemtic Name: 5-nitro-1-[(1-propan-2-yl-1,2,3,4-tetrazol-5-yl)methyl]indole Openeye Name: 1-[(1-isopropyltetrazol-5-yl)methyl]-5-nitro-indole CAS Name: 5-nitro-1-[(1-propan-2-yl-5-tetrazolyl)methyl]indole IUPAC Name: 5-nitro-1-[(1-propan-2-yltetrazol-5-yl)methyl]indole Traditional Name: 1-[(1-isopropyltetrazol-5-yl)methyl]-5-nitro-indole Formula: C13H14N6O2 MolecularWeight: 286.28926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=N1)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=NN=N1)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H14N6O2/c1-9(2)18-13(14-15-16-18)8-17-6-5-10-7-11(19(20)21)3-4-12(10)17/h3-7,9H,8H2,1-2H3