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

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-2-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=C(C(=CC=C3)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

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