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

Systemtic Name: (E)-4-[4-(1-oxidanidylpyridin-1-ium-3-yl)phenyl]but-3-enoic acid Openeye Name: (E)-4-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]but-3-enoic acid CAS Name: (E)-4-[4-(1-oxido-3-pyridin-1-iumyl)phenyl]-3-butenoic acid IUPAC Name: (E)-4-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]but-3-enoic acid Traditional Name: (E)-4-[4-(1-oxidopyridin-1-ium-3-yl)phenyl]but-3-enoic acid Formula: C15H13NO3 MolecularWeight: 255.26862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO3/c17-15(18)5-1-3-12-6-8-13(9-7-12)14-4-2-10-16(19)11-14/h1-4,6-11H,5H2,(H,17,18)/b3-1+