5-methyl-3-(3-nitro-4-pent-4-ynoxy-phenyl)-1,2,4-oxadiazole

Systemtic Name: 5-methyl-3-(3-nitro-4-pent-4-ynoxy-phenyl)-1,2,4-oxadiazole Openeye Name: 5-methyl-3-(3-nitro-4-pent-4-ynoxy-phenyl)-1,2,4-oxadiazole CAS Name: 5-methyl-3-(3-nitro-4-pent-4-ynoxyphenyl)-1,2,4-oxadiazole IUPAC Name: 5-methyl-3-(3-nitro-4-pent-4-ynoxyphenyl)-1,2,4-oxadiazole Traditional Name: 5-methyl-3-(3-nitro-4-pent-4-ynoxy-phenyl)-1,2,4-oxadiazole Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4/c1-3-4-5-8-20-13-7-6-11(9-12(13)17(18)19)14-15-10(2)21-16-14/h1,6-7,9H,4-5,8H2,2H3