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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-(2-bromanyl-4-phenyl-phenoxy)ethanoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-(2-bromo-4-phenyl-phenoxy)acetate CAS Name: 2-(2-bromo-4-phenylphenoxy)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-phenylphenoxy)acetate Traditional Name: 2-(2-bromo-4-phenyl-phenoxy)acetic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C29H21BrN2O5 MolecularWeight: 557.39144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(=O)OC3=CC=C(C=C3)C=C(C#N)C(=O)NCC4=CC=CO4)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(C=C2)OCC(=O)OC3=CC=C(C=C3)/C=C(\C#N)/C(=O)NCC4=CC=CO4)Br

InChI

InChI=1S/C29H21BrN2O5/c30-26-16-22(21-5-2-1-3-6-21)10-13-27(26)36-19-28(33)37-24-11-8-20(9-12-24)15-23(17-31)29(34)32-18-25-7-4-14-35-25/h1-16H,18-19H2,(H,32,34)/b23-15+