butyl (E)-3-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-enoate

Systemtic Name: butyl (E)-3-(1-oxidanidylpyridin-1-ium-3-yl)prop-2-enoate Openeye Name: butyl (E)-3-(1-oxidopyridin-1-ium-3-yl)prop-2-enoate CAS Name: (E)-3-(1-oxido-3-pyridin-1-iumyl)-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-(1-oxidopyridin-1-ium-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-oxidopyridin-1-ium-3-yl)acrylic acid butyl ester Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=C[N+](=CC=C1)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3/c1-2-3-9-16-12(14)7-6-11-5-4-8-13(15)10-11/h4-8,10H,2-3,9H2,1H3/b7-6+