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

Systemtic Name: 3,3-dimethyl-1-[5-(3-nitrophenyl)-1,2,3,4-tetrazol-2-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[5-(3-nitrophenyl)tetrazol-2-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[5-(3-nitrophenyl)-2-tetrazolyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[5-(3-nitrophenyl)tetrazol-2-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[5-(3-nitrophenyl)tetrazol-2-yl]butan-2-one Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1N=C(N=N1)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CN1N=C(N=N1)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3/c1-13(2,3)11(19)8-17-15-12(14-16-17)9-5-4-6-10(7-9)18(20)21/h4-7H,8H2,1-3H3