3-[4-[(Z)-C-(4-butylphenyl)-N-oxidanidyl-carbonimidoyl]phenyl]-4-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxidanidyl-carbonimidoyl]phenyl]-4-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxido-carbonimidoyl]phenyl]-4-phenyl-2H-oxadiazol-3-ium-5-one CAS Name: 3-[4-[(Z)-(4-butylphenyl)-oxidoiminomethyl]phenyl]-4-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxidocarbonimidoyl]phenyl]-4-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[4-[(Z)-C-(4-butylphenyl)-N-oxido-carbonimidoyl]phenyl]-4-phenyl-2H-oxadiazol-3-ium-5-one Formula: C25H23N3O3 MolecularWeight: 413.46842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=N[O-])C2=CC=C(C=C2)[N+]3=C(C(=O)ON3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)/C(=N/[O-])/C2=CC=C(C=C2)[N+]3=C(C(=O)ON3)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3/c1-2-3-7-18-10-12-19(13-11-18)23(26-30)20-14-16-22(17-15-20)28-24(25(29)31-27-28)21-8-5-4-6-9-21/h4-6,8-17H,2-3,7H2,1H3,(H-,27,29,30)