[2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-bromanyl-2,3-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methoxyphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromo-2,3-dimethyl-anilino)-2-oxo-ethyl] 4-(2-methoxyanilino)-4-oxo-butanoate CAS Name: 4-(2-methoxyanilino)-4-oxobutanoic acid [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2,3-dimethylanilino)-2-oxoethyl] 4-(2-methoxyanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(o-anisidino)butyric acid [2-(4-bromo-2,3-dimethyl-anilino)-2-keto-ethyl] ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2OC

Isomeric SMILES

CC1=C(C=CC(=C1C)Br)NC(=O)COC(=O)CCC(=O)NC2=CC=CC=C2OC

InChI

InChI=1S/C21H23BrN2O5/c1-13-14(2)16(9-8-15(13)22)23-20(26)12-29-21(27)11-10-19(25)24-17-6-4-5-7-18(17)28-3/h4-9H,10-12H2,1-3H3,(H,23,26)(H,24,25)