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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-(2-bromanyl-4-ethyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-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]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 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]-2-ethoxy-phenyl] ester Formula: C27H25BrN2O6 MolecularWeight: 553.4012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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