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

Systemtic Name: [4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 4-bromanylbenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 4-bromobenzoate CAS Name: 4-bromobenzoic 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] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [4-[(E)-2-cyano-3-(2-furfurylamino)-3-keto-prop-1-enyl]phenyl] ester Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

C1=COC(=C1)CNC(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C22H15BrN2O4/c23-18-7-5-16(6-8-18)22(27)29-19-9-3-15(4-10-19)12-17(13-24)21(26)25-14-20-2-1-11-28-20/h1-12H,14H2,(H,25,26)/b17-12+