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

Systemtic Name: 5-(3-methylbutyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Openeye Name: 5-isopentyl-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one CAS Name: 5-(3-methylbutyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one IUPAC Name: 5-(3-methylbutyl)-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Traditional Name: 5-isoamyl-3-(4-nitrophenyl)-1,3,4-oxadiazol-2-one Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=NN(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCC1=NN(C(=O)O1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-9(2)3-8-12-14-15(13(17)20-12)10-4-6-11(7-5-10)16(18)19/h4-7,9H,3,8H2,1-2H3