(5-bromanyl-2-methoxy-phenyl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (5-bromo-2-methoxy-benzyl) ester Formula: C18H16BrNO6 MolecularWeight: 422.22674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H16BrNO6/c1-23-14-5-3-13(19)6-12(14)9-24-17(21)8-20-18(22)11-2-4-15-16(7-11)26-10-25-15/h2-7H,8-10H2,1H3,(H,20,22)