(E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; pyridin-1-ium

Systemtic Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; pyridin-1-ium Openeye Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; pyridin-1-ium CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-2-propenoate; pyridin-1-ium IUPAC Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate; pyridin-1-ium Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)acrylate; pyridin-1-ium Formula: C17H16N2O4 MolecularWeight: 312.31994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)[O-])OC.C1=CC=[NH+]C=C1

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)[O-])OC.C1=CC=[NH+]C=C1

InChI

InChI=1S/C12H11NO4.C5H5N/c1-16-10-4-3-8(6-11(10)17-2)5-9(7-13)12(14)15;1-2-4-6-5-3-1/h3-6H,1-2H3,(H,14,15);1-5H/b9-5+;