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

Systemtic Name: 3-[4-[(Z)-N-oxidanidyl-C-(4-propylphenyl)carbonimidoyl]phenyl]-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-[4-[(Z)-N-oxido-C-(4-propylphenyl)carbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one CAS Name: 3-[4-[(Z)-oxidoimino-(4-propylphenyl)methyl]phenyl]-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-[4-[(Z)-N-oxido-C-(4-propylphenyl)carbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one Traditional Name: 3-[4-[(Z)-N-oxido-C-(4-propylphenyl)carbonimidoyl]phenyl]-2H-oxadiazol-3-ium-5-one Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=N[O-])C2=CC=C(C=C2)[N+]3=CC(=O)ON3

Isomeric SMILES

CCCC1=CC=C(C=C1)/C(=N/[O-])/C2=CC=C(C=C2)[N+]3=CC(=O)ON3

InChI

InChI=1S/C18H17N3O3/c1-2-3-13-4-6-14(7-5-13)18(19-23)15-8-10-16(11-9-15)21-12-17(22)24-20-21/h4-12H,2-3H2,1H3,(H-,20,22,23)