[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C21H21BrN2O6/c1-12(21(28)24-15-6-3-13(4-7-15)20(23)27)30-19(26)10-8-17(25)16-11-14(22)5-9-18(16)29-2/h3-7,9,11-12H,8,10H2,1-2H3,(H2,23,27)(H,24,28)