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

Systemtic Name: 5-(5-nitro-2-oxidanylidene-pyridin-1-yl)-4-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Openeye Name: 4-hydroxy-5-(5-nitro-2-oxo-1-pyridyl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile CAS Name: 4-hydroxy-5-(5-nitro-2-oxo-1-pyridinyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile IUPAC Name: 4-hydroxy-5-(5-nitro-2-oxopyridin-1-yl)-2,3,4,5-tetrahydro-1-benzoxepine-7-carbonitrile Traditional Name: 4-hydroxy-5-(2-keto-5-nitro-1-pyridyl)-2,3,4,5-tetrahydro-1-benzoxepin-7-carbonitrile Formula: C16H13N3O5 MolecularWeight: 327.29152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C#N)C(C1O)N3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(C=C(C=C2)C#N)C(C1O)N3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O5/c17-8-10-1-3-14-12(7-10)16(13(20)5-6-24-14)18-9-11(19(22)23)2-4-15(18)21/h1-4,7,9,13,16,20H,5-6H2