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

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C19H12BrFN2O5 MolecularWeight: 447.211383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrFN2O5/c20-13-2-3-15(14(21)7-13)23-18(24)9-26-19(25)12(8-22)5-11-1-4-16-17(6-11)28-10-27-16/h1-7H,9-10H2,(H,23,24)