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

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-4-methyl-3-nitro-benzamide Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=N2)CNC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N6O3/c1-11-5-7-15(8-13(11)3)23-17(20-21-22-23)10-19-18(25)14-6-4-12(2)16(9-14)24(26)27/h4-9H,10H2,1-3H3,(H,19,25)