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

Systemtic Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxidanylidene-prop-1-enyl]phenyl] 2-bromanylbenzoate Openeye Name: [4-[2-cyano-3-(2-furylmethylamino)-3-oxo-prop-1-enyl]phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [4-[2-cyano-3-(2-furanylmethylamino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [4-[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=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NCC3=CC=CO3)Br

Isomeric SMILES

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

InChI

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