[2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3,5-diaminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3,5-dicarbamoylanilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(3,5-dicarbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dicarbamoylanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-(3,5-dicarbamoylanilino)-2-keto-ethyl] ester Formula: C21H20BrN3O7 MolecularWeight: 506.3034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC(=C2)C(=O)N)C(=O)N

InChI

InChI=1S/C21H20BrN3O7/c1-31-17-4-2-13(22)9-15(17)16(26)3-5-19(28)32-10-18(27)25-14-7-11(20(23)29)6-12(8-14)21(24)30/h2,4,6-9H,3,5,10H2,1H3,(H2,23,29)(H2,24,30)(H,25,27)