4-[(4-bromanyl-2-ethyl-phenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(4-bromanyl-2-ethyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-bromo-2-ethyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(4-bromo-2-ethylanilino)-4-oxobutanoic acid IUPAC Name: 4-(4-bromo-2-ethylanilino)-4-oxobutanoic acid Traditional Name: 4-(4-bromo-2-ethyl-anilino)-4-keto-butyric acid Formula: C12H14BrNO3 MolecularWeight: 300.14846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H14BrNO3/c1-2-8-7-9(13)3-4-10(8)14-11(15)5-6-12(16)17/h3-4,7H,2,5-6H2,1H3,(H,14,15)(H,16,17)