5-(2-methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one

Systemtic Name: 5-(2-methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-isobutyl-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-(2-methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-(2-methylpropyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-isobutyl-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Formula: C12H13N3O4 MolecularWeight: 263.24932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NN(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=NN(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O4/c1-8(2)7-11-13-14(12(16)19-11)9-3-5-10(6-4-9)15(17)18/h3-6,8H,7H2,1-2H3