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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(2-bromanyl-4-ethyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-(2-bromo-4-ethyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-ethylphenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 2-(2-bromo-4-ethylphenoxy)acetate Traditional Name: 2-(2-bromo-4-ethyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21BrN2O5/c1-2-17-7-10-23(22(26)13-17)32-16-24(29)33-20-8-5-18(6-9-20)12-19(14-27)25(30)28-15-21-4-3-11-31-21/h3-13H,2,15-16H2,1H3,(H,28,30)/b19-12+