3-[4-[(E)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate

Systemtic Name: 3-[4-[(E)-C-methyl-N-(pyridin-4-ylcarbonylamino)carbonimidoyl]phenyl]-1,2,3-oxadiazol-3-ium-5-olate Openeye Name: 3-[4-[(E)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]oxadiazol-3-ium-5-olate CAS Name: 3-[4-[(1E)-1-[[oxo(pyridin-4-yl)methyl]hydrazinylidene]ethyl]phenyl]-5-oxadiazol-3-iumolate IUPAC Name: 3-[4-[(E)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]phenyl]oxadiazol-3-ium-5-olate Traditional Name: 3-[4-[(E)-N-isonicotinamido-C-methyl-carbonimidoyl]phenyl]oxadiazol-3-ium-5-olate Formula: C16H13N5O3 MolecularWeight: 323.30612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=C(C=C2)[N+]3=NOC(=C3)[O-]

InChI

InChI=1S/C16H13N5O3/c1-11(18-19-16(23)13-6-8-17-9-7-13)12-2-4-14(5-3-12)21-10-15(22)24-20-21/h2-10H,1H3,(H-,19,20,22,23)