2-[3,5-bis(bromanyl)-4-methoxy-2,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]ethanenitrile

Systemtic Name: 2-[3,5-bis(bromanyl)-4-methoxy-2,6-bis(oxidanyl)cyclohexa-2,4-dien-1-yl]ethanenitrile Openeye Name: 2-(3,5-dibromo-2,6-dihydroxy-4-methoxy-cyclohexa-2,4-dien-1-yl)acetonitrile CAS Name: 2-(3,5-dibromo-2,6-dihydroxy-4-methoxy-1-cyclohexa-2,4-dienyl)acetonitrile IUPAC Name: 2-(3,5-dibromo-2,6-dihydroxy-4-methoxycyclohexa-2,4-dien-1-yl)acetonitrile Traditional Name: 2-(3,5-dibromo-2,6-dihydroxy-4-methoxy-cyclohexa-2,4-dien-1-yl)acetonitrile Formula: C9H9Br2NO3 MolecularWeight: 338.98066

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(C(C(=C1Br)O)CC#N)O)Br

Isomeric SMILES

COC1=C(C(C(C(=C1Br)O)CC#N)O)Br

InChI

InChI=1S/C9H9Br2NO3/c1-15-9-5(10)7(13)4(2-3-12)8(14)6(9)11/h4,7,13-14H,2H2,1H3