1-[2,2-dimethyl-5-(4-methyl-3-nitro-phenyl)-1,3,4-oxadiazol-3-yl]ethanone

Systemtic Name: 1-[2,2-dimethyl-5-(4-methyl-3-nitro-phenyl)-1,3,4-oxadiazol-3-yl]ethanone Openeye Name: 1-[2,2-dimethyl-5-(4-methyl-3-nitro-phenyl)-1,3,4-oxadiazol-3-yl]ethanone CAS Name: 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone IUPAC Name: 1-[2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1,3,4-oxadiazol-3-yl]ethanone Traditional Name: 1-[2,2-dimethyl-5-(4-methyl-3-nitro-phenyl)-1,3,4-oxadiazol-3-yl]ethanone Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(O2)(C)C)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(O2)(C)C)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-8-5-6-10(7-11(8)16(18)19)12-14-15(9(2)17)13(3,4)20-12/h5-7H,1-4H3