(4S,5E)-3-ethanoyl-5-(1-oxidanylethylidene)-4-pyridin-3-yl-heptane-2,6-dione

Systemtic Name: (4S,5E)-3-ethanoyl-5-(1-oxidanylethylidene)-4-pyridin-3-yl-heptane-2,6-dione Openeye Name: (4S,5E)-3-acetyl-5-(1-hydroxyethylidene)-4-(3-pyridyl)heptane-2,6-dione CAS Name: (4S,5E)-3-acetyl-5-(1-hydroxyethylidene)-4-(3-pyridinyl)heptane-2,6-dione IUPAC Name: (4S,5E)-3-acetyl-5-(1-hydroxyethylidene)-4-pyridin-3-ylheptane-2,6-dione Traditional Name: (4S,5E)-3-acetyl-5-(1-hydroxyethylidene)-4-(3-pyridyl)heptane-2,6-dione Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C([C@@H](C1=CN=CC=C1)/C(=C(/C)\O)/C(=O)C)C(=O)C

InChI

InChI=1S/C16H19NO4/c1-9(18)14(10(2)19)16(13-6-5-7-17-8-13)15(11(3)20)12(4)21/h5-8,14,16,20H,1-4H3/b15-11-/t16-/m1/s1