4-[2-(4-bromophenyl)ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(4-bromophenyl)ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(4-bromophenyl)ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-(4-bromophenyl)ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-(4-bromophenyl)ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-(4-bromophenyl)ethylamino]-4-keto-butyric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=O)CCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)CCC(=O)O)Br

InChI

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