[4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-bromanylbenzoate

Systemtic Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 2-bromanylbenzoate Openeye Name: [4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C24H19BrN2O5 MolecularWeight: 495.32206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CO2)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C24H19BrN2O5/c1-2-30-22-13-16(12-17(14-26)23(28)27-15-18-6-5-11-31-18)9-10-21(22)32-24(29)19-7-3-4-8-20(19)25/h3-13H,2,15H2,1H3,(H,27,28)