pyridin-3-yl 3-oxidanyl-5-oxidanylidene-hept-6-enoate

Systemtic Name: pyridin-3-yl 3-oxidanyl-5-oxidanylidene-hept-6-enoate Openeye Name: 3-pyridyl 3-hydroxy-5-oxo-hept-6-enoate CAS Name: 3-hydroxy-5-oxo-6-heptenoic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3-hydroxy-5-oxohept-6-enoate Traditional Name: 3-hydroxy-5-keto-hept-6-enoic acid 3-pyridyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC(CC(=O)OC1=CN=CC=C1)O

Isomeric SMILES

C=CC(=O)CC(CC(=O)OC1=CN=CC=C1)O

InChI

InChI=1S/C12H13NO4/c1-2-9(14)6-10(15)7-12(16)17-11-4-3-5-13-8-11/h2-5,8,10,15H,1,6-7H2