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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O3/c1-11-13(8-5-9-14(11)22(24)25)16(23)17-10-15-18-19-20-21(15)12-6-3-2-4-7-12/h5,8-9,12H,2-4,6-7,10H2,1H3,(H,17,23)