methyl (2S)-2-acetamido-3-[3,5-bis(bromanyl)-1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[3,5-bis(bromanyl)-1-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)propanoate CAS Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxo-1-cyclohexa-2,5-dienyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(3,5-dibromo-1-hydroxy-4-keto-cyclohexa-2,5-dien-1-yl)propionic acid methyl ester Formula: C12H13Br2NO5 MolecularWeight: 411.04332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1(C=C(C(=O)C(=C1)Br)Br)O)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC1(C=C(C(=O)C(=C1)Br)Br)O)C(=O)OC

InChI

InChI=1S/C12H13Br2NO5/c1-6(16)15-9(11(18)20-2)5-12(19)3-7(13)10(17)8(14)4-12/h3-4,9,19H,5H2,1-2H3,(H,15,16)/t9-/m0/s1