5-(3,3-dinitrobutyl)-3-(3-methylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-(3,3-dinitrobutyl)-3-(3-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-(3,3-dinitrobutyl)-3-(m-tolyl)-1,2,4-oxadiazole CAS Name: 5-(3,3-dinitrobutyl)-3-(3-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-(3,3-dinitrobutyl)-3-(3-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-(3,3-dinitrobutyl)-3-(m-tolyl)-1,2,4-oxadiazole Formula: C13H14N4O5 MolecularWeight: 306.27406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NOC(=N2)CCC(C)([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NOC(=N2)CCC(C)([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O5/c1-9-4-3-5-10(8-9)12-14-11(22-15-12)6-7-13(2,16(18)19)17(20)21/h3-5,8H,6-7H2,1-2H3