[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 4-[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 4-[2-(4-bromoanilino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(4-bromoanilino)-2-keto-ethoxy]-3-methoxy-benzoic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C22H20BrN3O6 MolecularWeight: 502.3147

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Br)OC)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)Br)OC)/N

InChI

InChI=1S/C22H20BrN3O6/c1-13(25)17(10-24)18(27)11-32-22(29)14-3-8-19(20(9-14)30-2)31-12-21(28)26-16-6-4-15(23)5-7-16/h3-9H,11-12,25H2,1-2H3,(H,26,28)/b17-13+