methyl (E)-3-(1,3-benzodioxol-5-yl)-3-bromanyl-2-isocyano-prop-2-enoate

Systemtic Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-3-bromanyl-2-isocyano-prop-2-enoate Openeye Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-3-bromo-2-isocyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-3-bromo-2-isocyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-3-bromo-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-3-bromo-2-isocyano-acrylic acid methyl ester Formula: C12H8BrNO4 MolecularWeight: 310.10022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C1=CC2=C(C=C1)OCO2)Br)[N+]#[C-]

Isomeric SMILES

COC(=O)/C(=C(/C1=CC2=C(C=C1)OCO2)\Br)/[N+]#[C-]

InChI

InChI=1S/C12H8BrNO4/c1-14-11(12(15)16-2)10(13)7-3-4-8-9(5-7)18-6-17-8/h3-5H,6H2,2H3/b11-10+