4-oxidanyl-5-(2-oxidanylidenepyridin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile

Systemtic Name: 4-oxidanyl-5-(2-oxidanylidenepyridin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Openeye Name: 4-hydroxy-5-(2-oxo-1-pyridyl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile CAS Name: 4-hydroxy-5-(2-oxo-1-pyridinyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile IUPAC Name: 4-hydroxy-5-(2-oxopyridin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Traditional Name: 4-hydroxy-5-(2-keto-1-pyridyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile Formula: C16H14N2O3 MolecularWeight: 282.29396

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C#N)C(C1O)N3C=CC=CC3=O

Isomeric SMILES

C1COC2=C(C=C(C=C2)C#N)C(C1O)N3C=CC=CC3=O

InChI

InChI=1S/C16H14N2O3/c17-10-11-4-5-14-12(9-11)16(13(19)6-8-21-14)18-7-2-1-3-15(18)20/h1-5,7,9,13,16,19H,6,8H2