2-[2-[(3,4-dichlorophenyl)-oxidanyl-methyl]-1,3-benzoxazol-6-yl]ethanenitrile

Systemtic Name: 2-[2-[(3,4-dichlorophenyl)-oxidanyl-methyl]-1,3-benzoxazol-6-yl]ethanenitrile Openeye Name: 2-[2-[(3,4-dichlorophenyl)-hydroxy-methyl]-1,3-benzoxazol-6-yl]acetonitrile CAS Name: 2-[2-[(3,4-dichlorophenyl)-hydroxymethyl]-1,3-benzoxazol-6-yl]acetonitrile IUPAC Name: 2-[2-[(3,4-dichlorophenyl)-hydroxymethyl]-1,3-benzoxazol-6-yl]acetonitrile Traditional Name: 2-[2-[(3,4-dichlorophenyl)-hydroxy-methyl]-1,3-benzoxazol-6-yl]acetonitrile Formula: C16H10Cl2N2O2 MolecularWeight: 333.1688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CC#N)OC(=N2)C(C3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

C1=CC2=C(C=C1CC#N)OC(=N2)C(C3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C16H10Cl2N2O2/c17-11-3-2-10(8-12(11)18)15(21)16-20-13-4-1-9(5-6-19)7-14(13)22-16/h1-4,7-8,15,21H,5H2