7-chloranyl-2-methyl-3-oxidanyl-2,4-dihydro-1,5-benzodioxepine-3-carbonitrile

Systemtic Name: 7-chloranyl-2-methyl-3-oxidanyl-2,4-dihydro-1,5-benzodioxepine-3-carbonitrile Openeye Name: 7-chloro-3-hydroxy-2-methyl-2,4-dihydro-1,5-benzodioxepine-3-carbonitrile CAS Name: 7-chloro-3-hydroxy-2-methyl-2,4-dihydro-1,5-benzodioxepin-3-carbonitrile IUPAC Name: 7-chloro-3-hydroxy-2-methyl-2,4-dihydro-1,5-benzodioxepine-3-carbonitrile Traditional Name: 7-chloro-3-hydroxy-2-methyl-2,4-dihydro-1,5-benzodioxepin-3-carbonitrile Formula: C11H10ClNO3 MolecularWeight: 239.655

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(COC2=C(O1)C=CC(=C2)Cl)(C#N)O

Isomeric SMILES

CC1C(COC2=C(O1)C=CC(=C2)Cl)(C#N)O

InChI

InChI=1S/C11H10ClNO3/c1-7-11(14,5-13)6-15-10-4-8(12)2-3-9(10)16-7/h2-4,7,14H,6H2,1H3