4-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[(6-bromanyl-1,3-benzodioxol-5-yl)methoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-methoxy-benzonitrile CAS Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzonitrile IUPAC Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-methoxybenzonitrile Traditional Name: 4-[(6-bromo-1,3-benzodioxol-5-yl)methoxy]-3-methoxy-benzonitrile Formula: C16H12BrNO4 MolecularWeight: 362.17478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C16H12BrNO4/c1-19-14-4-10(7-18)2-3-13(14)20-8-11-5-15-16(6-12(11)17)22-9-21-15/h2-6H,8-9H2,1H3