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

Systemtic Name: N-[[1-(3,4-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]methyl]-3-nitro-benzamide Openeye Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3-nitro-benzamide CAS Name: N-[[1-(3,4-dimethylphenyl)-5-tetrazolyl]methyl]-3-nitrobenzamide IUPAC Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3-nitrobenzamide Traditional Name: N-[[1-(3,4-dimethylphenyl)tetrazol-5-yl]methyl]-3-nitro-benzamide Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N6O3/c1-11-6-7-14(8-12(11)2)22-16(19-20-21-22)10-18-17(24)13-4-3-5-15(9-13)23(25)26/h3-9H,10H2,1-2H3,(H,18,24)