6-(5-chloranyl-2-oxidanyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-1H-pyridine-3-carbonitrile

Systemtic Name: 6-(5-chloranyl-2-oxidanyl-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxidanylidene-1H-pyridine-3-carbonitrile Openeye Name: 6-(5-chloro-2-hydroxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-1H-pyridine-3-carbonitrile CAS Name: 6-(5-chloro-2-hydroxyphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-1H-pyridine-3-carbonitrile IUPAC Name: 6-(5-chloro-2-hydroxyphenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxo-1H-pyridine-3-carbonitrile Traditional Name: 6-(5-chloro-2-hydroxy-phenyl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-keto-1H-pyridine-3-carbonitrile Formula: C21H15ClN2O4 MolecularWeight: 394.8078

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=C(C(=O)NC(=C3)C4=C(C=CC(=C4)Cl)O)C#N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=C(C(=O)NC(=C3)C4=C(C=CC(=C4)Cl)O)C#N)OC1

InChI

InChI=1S/C21H15ClN2O4/c22-13-3-4-18(25)15(9-13)17-10-14(16(11-23)21(26)24-17)12-2-5-19-20(8-12)28-7-1-6-27-19/h2-5,8-10,25H,1,6-7H2,(H,24,26)