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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(N=N2)CC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

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