[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H19BrN2O5 MolecularWeight: 447.27926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)OC(=O)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C20H19BrN2O5/c1-12(20(25)23-16-7-5-4-6-13(16)11-22)28-19(24)9-14-8-17(26-2)18(27-3)10-15(14)21/h4-8,10,12H,9H2,1-3H3,(H,23,25)