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

Systemtic Name: propan-2-yl (E)-4-oxidanylidene-4-pyridin-3-yl-but-2-enoate Openeye Name: isopropyl (E)-4-oxo-4-(3-pyridyl)but-2-enoate CAS Name: (E)-4-oxo-4-(3-pyridinyl)-2-butenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-4-oxo-4-pyridin-3-ylbut-2-enoate Traditional Name: (E)-4-keto-4-(3-pyridyl)but-2-enoic acid isopropyl ester Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-9(2)16-12(15)6-5-11(14)10-4-3-7-13-8-10/h3-9H,1-2H3/b6-5+