5-[(3-bromophenyl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-bromophenyl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-bromophenyl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(3-bromophenyl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(3-bromophenyl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(3-bromobenzyl)amino]-5-keto-valeric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(=O)CCCC(=O)O

InChI

InChI=1S/C12H14BrNO3/c13-10-4-1-3-9(7-10)8-14-11(15)5-2-6-12(16)17/h1,3-4,7H,2,5-6,8H2,(H,14,15)(H,16,17)