[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H15BrFNO5 MolecularWeight: 424.217803

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCC(=O)OCC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C18H15BrFNO5/c19-12-3-4-14(13(20)8-12)21-17(22)9-24-18(23)6-2-11-1-5-15-16(7-11)26-10-25-15/h1,3-5,7-8H,2,6,9-10H2,(H,21,22)