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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(4-bromanyl-2-ethyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]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]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 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]phenyl] ester Formula: C25H21BrN2O5 MolecularWeight: 509.34864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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