[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate CAS Name: 4,5-dimethoxy-2-[(2-methyl-1-oxopropyl)amino]benzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate Traditional Name: 2-(isobutyrylamino)-4,5-dimethoxy-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)OC)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC(=C(C=C1C(=O)OCC(=O)NC2=CC=C(C=C2)Br)OC)OC

InChI

InChI=1S/C21H23BrN2O6/c1-12(2)20(26)24-16-10-18(29-4)17(28-3)9-15(16)21(27)30-11-19(25)23-14-7-5-13(22)6-8-14/h5-10,12H,11H2,1-4H3,(H,23,25)(H,24,26)