(E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-3-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-3-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C20H19BrN2O6 MolecularWeight: 463.27866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC3=C(C=C2Br)OCCO3)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC3=C(C=C2Br)OCCO3)OCC(=O)N

InChI

InChI=1S/C20H19BrN2O6/c1-26-16-8-12(2-4-15(16)29-11-19(22)24)3-5-20(25)23-14-10-18-17(9-13(14)21)27-6-7-28-18/h2-5,8-10H,6-7,11H2,1H3,(H2,22,24)(H,23,25)/b5-3+