5,5-dimethyl-2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoyl]cyclohexane-1,3-dione Openeye Name: 5,5-dimethyl-2-[2-(5-phenyltetrazol-2-yl)acetyl]cyclohexane-1,3-dione CAS Name: 5,5-dimethyl-2-[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]cyclohexane-1,3-dione IUPAC Name: 5,5-dimethyl-2-[2-(5-phenyltetrazol-2-yl)acetyl]cyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[2-(5-phenyltetrazol-2-yl)acetyl]cyclohexane-1,3-quinone Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(=O)C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC(=O)C(C(=O)C1)C(=O)CN2N=C(N=N2)C3=CC=CC=C3)C

InChI

InChI=1S/C17H18N4O3/c1-17(2)8-12(22)15(13(23)9-17)14(24)10-21-19-16(18-20-21)11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3