2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxidanyl-methyl]prop-2-enenitrile

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-oxidanyl-methyl]prop-2-enenitrile Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-hydroxy-methyl]prop-2-enenitrile CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-hydroxymethyl]-2-propenenitrile IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-hydroxymethyl]prop-2-enenitrile Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-hydroxy-methyl]acrylonitrile Formula: C13H12ClNO3 MolecularWeight: 265.69228

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C#N)C(C1=CC2=C(C(=C1)Cl)OCCCO2)O

Isomeric SMILES

C=C(C#N)C(C1=CC2=C(C(=C1)Cl)OCCCO2)O

InChI

InChI=1S/C13H12ClNO3/c1-8(7-15)12(16)9-5-10(14)13-11(6-9)17-3-2-4-18-13/h5-6,12,16H,1-4H2