2,3-bis(bromanyl)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 2,3-bis(bromanyl)-4-[(4-ethoxycarbonylphenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,3-dibromo-4-(4-ethoxycarbonylanilino)-4-oxo-butanoic acid CAS Name: 2,3-dibromo-4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid IUPAC Name: 2,3-dibromo-4-(4-ethoxycarbonylanilino)-4-oxobutanoic acid Traditional Name: 2,3-dibromo-4-(4-carbethoxyanilino)-4-keto-butyric acid Formula: C13H13Br2NO5 MolecularWeight: 423.05402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C(=O)O)Br)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C(=O)O)Br)Br

InChI

InChI=1S/C13H13Br2NO5/c1-2-21-13(20)7-3-5-8(6-4-7)16-11(17)9(14)10(15)12(18)19/h3-6,9-10H,2H2,1H3,(H,16,17)(H,18,19)