5-(4-bromophenyl)-2-(methylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(4-bromophenyl)-2-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(4-bromophenyl)-2-(methylamino)-5-oxo-pentanoic acid CAS Name: 5-(4-bromophenyl)-2-(methylamino)-5-oxopentanoic acid IUPAC Name: 5-(4-bromophenyl)-2-(methylamino)-5-oxopentanoic acid Traditional Name: 5-(4-bromophenyl)-5-keto-2-(methylamino)valeric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCC(=O)C1=CC=C(C=C1)Br)C(=O)O

Isomeric SMILES

CNC(CCC(=O)C1=CC=C(C=C1)Br)C(=O)O

InChI

InChI=1S/C12H14BrNO3/c1-14-10(12(16)17)6-7-11(15)8-2-4-9(13)5-3-8/h2-5,10,14H,6-7H2,1H3,(H,16,17)