4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxo-butanoic acid CAS Name: 4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid IUPAC Name: 4-(4-bromophenyl)-2-(cyclopropylamino)-4-oxobutanoic acid Traditional Name: 4-(4-bromophenyl)-2-(cyclopropylamino)-4-keto-butyric acid Formula: C13H14BrNO3 MolecularWeight: 312.15916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

Isomeric SMILES

C1CC1NC(CC(=O)C2=CC=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C13H14BrNO3/c14-9-3-1-8(2-4-9)12(16)7-11(13(17)18)15-10-5-6-10/h1-4,10-11,15H,5-7H2,(H,17,18)