N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(E)-(3,4-dimethoxyphenyl)methyleneamino]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: 1-oxido-N-[(E)-veratrylideneamino]pyridin-1-ium-4-carboxamide Formula: C15H15N3O4 MolecularWeight: 301.2973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=[N+](C=C2)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=[N+](C=C2)[O-])OC

InChI

InChI=1S/C15H15N3O4/c1-21-13-4-3-11(9-14(13)22-2)10-16-17-15(19)12-5-7-18(20)8-6-12/h3-10H,1-2H3,(H,17,19)/b16-10+