N-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[(1-cyclohexyl-5-tetrazolyl)methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[(1-cyclohexyltetrazol-5-yl)methyl]-4-methyl-3-nitro-benzamide Formula: C16H20N6O3 MolecularWeight: 344.3684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=NN=NN2C3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=NN=NN2C3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O3/c1-11-7-8-12(9-14(11)22(24)25)16(23)17-10-15-18-19-20-21(15)13-5-3-2-4-6-13/h7-9,13H,2-6,10H2,1H3,(H,17,23)