[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromanyl-2-ethyl-phenoxy)ethanoate

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromanyl-2-ethyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-(4-bromo-2-ethyl-phenoxy)acetate CAS Name: 2-(4-bromo-2-ethylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-(4-bromo-2-ethylphenoxy)acetate Traditional Name: 2-(4-bromo-2-ethyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C27H25BrN2O6 MolecularWeight: 553.4012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)OCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NCC3=CC=CO3)OCC

InChI

InChI=1S/C27H25BrN2O6/c1-3-19-14-21(28)8-10-23(19)35-17-26(31)36-24-9-7-18(13-25(24)33-4-2)12-20(15-29)27(32)30-16-22-6-5-11-34-22/h5-14H,3-4,16-17H2,1-2H3,(H,30,32)/b20-12+