N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]prop-2-en-1-amine

Systemtic Name: N-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]prop-2-en-1-amine Openeye Name: N-[(2-bromo-4,5-dimethoxy-phenyl)methyl]prop-2-en-1-amine CAS Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-propen-1-amine IUPAC Name: N-[(2-bromo-4,5-dimethoxyphenyl)methyl]prop-2-en-1-amine Traditional Name: allyl-(2-bromo-4,5-dimethoxy-benzyl)amine Formula: C12H16BrNO2 MolecularWeight: 286.16494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CNCC=C)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CNCC=C)Br)OC

InChI

InChI=1S/C12H16BrNO2/c1-4-5-14-8-9-6-11(15-2)12(16-3)7-10(9)13/h4,6-7,14H,1,5,8H2,2-3H3