2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-1-yl]-1-(4-nitrophenyl)ethanone

Systemtic Name: 2-[5-(4-methylphenyl)-1,2,3,4-tetrazol-1-yl]-1-(4-nitrophenyl)ethanone Openeye Name: 1-(4-nitrophenyl)-2-[5-(p-tolyl)tetrazol-1-yl]ethanone CAS Name: 2-[5-(4-methylphenyl)-1-tetrazolyl]-1-(4-nitrophenyl)ethanone IUPAC Name: 2-[5-(4-methylphenyl)tetrazol-1-yl]-1-(4-nitrophenyl)ethanone Traditional Name: 1-(4-nitrophenyl)-2-[5-(p-tolyl)tetrazol-1-yl]ethanone Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=NN2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O3/c1-11-2-4-13(5-3-11)16-17-18-19-20(16)10-15(22)12-6-8-14(9-7-12)21(23)24/h2-9H,10H2,1H3