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

Systemtic Name: 3,3-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]butan-2-one Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)CC1=NC(=NO1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-14(2,3)11(18)8-12-15-13(16-21-12)9-4-6-10(7-5-9)17(19)20/h4-7H,8H2,1-3H3