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

Systemtic Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodanylphenyl)carbonylamino]prop-2-enoate Openeye Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-iodophenyl)-oxomethyl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]acrylic acid methyl ester Formula: C18H14INO5 MolecularWeight: 451.21193

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

COC(=O)/C(=C\C1=CC2=C(C=C1)OCO2)/NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C18H14INO5/c1-23-18(22)14(20-17(21)12-4-2-3-5-13(12)19)8-11-6-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H,20,21)/b14-8+