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

Systemtic Name: 1-[5-(3-chloranyl-4-methyl-phenyl)-1,2,3,4-tetrazol-2-yl]-3,3-dimethyl-butan-2-one Openeye Name: 1-[5-(3-chloro-4-methyl-phenyl)tetrazol-2-yl]-3,3-dimethyl-butan-2-one CAS Name: 1-[5-(3-chloro-4-methylphenyl)-2-tetrazolyl]-3,3-dimethyl-2-butanone IUPAC Name: 1-[5-(3-chloro-4-methylphenyl)tetrazol-2-yl]-3,3-dimethylbutan-2-one Traditional Name: 1-[5-(3-chloro-4-methyl-phenyl)tetrazol-2-yl]-3,3-dimethyl-butan-2-one Formula: C14H17ClN4O MolecularWeight: 292.76398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)C(C)(C)C)Cl

InChI

InChI=1S/C14H17ClN4O/c1-9-5-6-10(7-11(9)15)13-16-18-19(17-13)8-12(20)14(2,3)4/h5-7H,8H2,1-4H3