5-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile

Systemtic Name: 5-(5-chloranyl-2-oxidanylidene-pyridin-1-yl)-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Openeye Name: 5-(5-chloro-2-oxo-1-pyridyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile CAS Name: 5-(5-chloro-2-oxo-1-pyridinyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile IUPAC Name: 5-(5-chloro-2-oxopyridin-1-yl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Traditional Name: 5-(5-chloro-2-keto-1-pyridyl)-4-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile Formula: C16H13ClN2O3 MolecularWeight: 316.73902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN2O3/c17-11-2-4-15(21)19(9-11)16-12-7-10(8-18)1-3-14(12)22-6-5-13(16)20/h1-4,7,9,13,16,20H,5-6H2