methyl (E)-4-oxidanylidene-4-pyridin-3-yl-but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-pyridin-3-yl-but-2-enoate Openeye Name: methyl (E)-4-oxo-4-(3-pyridyl)but-2-enoate CAS Name: (E)-4-oxo-4-(3-pyridinyl)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-pyridin-3-ylbut-2-enoate Traditional Name: (E)-4-keto-4-(3-pyridyl)but-2-enoic acid methyl ester Formula: C10H9NO3 MolecularWeight: 191.18336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC(=O)C1=CN=CC=C1

Isomeric SMILES

COC(=O)/C=C/C(=O)C1=CN=CC=C1

InChI

InChI=1S/C10H9NO3/c1-14-10(13)5-4-9(12)8-3-2-6-11-7-8/h2-7H,1H3/b5-4+