(E)-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]but-3-enoate

Systemtic Name: (E)-4-[4-(1-oxidanidylpyridin-1-ium-4-yl)phenyl]but-3-enoate Openeye Name: (E)-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enoate CAS Name: (E)-4-[4-(1-oxido-4-pyridin-1-iumyl)phenyl]-3-butenoate IUPAC Name: (E)-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enoate Traditional Name: (E)-4-[4-(1-oxidopyridin-1-ium-4-yl)phenyl]but-3-enoate Formula: C15H12NO3- MolecularWeight: 254.26068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCC(=O)[O-])C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3/c17-15(18)3-1-2-12-4-6-13(7-5-12)14-8-10-16(19)11-9-14/h1-2,4-11H,3H2,(H,17,18)/p-1/b2-1+