methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromanylfuran-2-yl)carbonylamino]prop-2-enoate

Systemtic Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromanylfuran-2-yl)carbonylamino]prop-2-enoate Openeye Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[(5-bromo-2-furanyl)-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromofuran-2-carbonyl)amino]prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(5-bromo-2-furoyl)amino]acrylic acid methyl ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H12BrNO6/c1-21-16(20)10(18-15(19)12-4-5-14(17)24-12)6-9-2-3-11-13(7-9)23-8-22-11/h2-7H,8H2,1H3,(H,18,19)/b10-6+