1-[2-(4-nitrophenyl)-1,2,3,4-tetrazol-5-yl]propan-2-one

Systemtic Name: 1-[2-(4-nitrophenyl)-1,2,3,4-tetrazol-5-yl]propan-2-one Openeye Name: 1-[2-(4-nitrophenyl)tetrazol-5-yl]propan-2-one CAS Name: 1-[2-(4-nitrophenyl)-5-tetrazolyl]-2-propanone IUPAC Name: 1-[2-(4-nitrophenyl)tetrazol-5-yl]propan-2-one Traditional Name: 1-[2-(4-nitrophenyl)tetrazol-5-yl]acetone Formula: C10H9N5O3 MolecularWeight: 247.21016

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1=NN(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1=NN(N=N1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C10H9N5O3/c1-7(16)6-10-11-13-14(12-10)8-2-4-9(5-3-8)15(17)18/h2-5H,6H2,1H3