(2S)-4-[(4-bromanyl-2-chloranyl-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: (2S)-4-[(4-bromanyl-2-chloranyl-phenyl)amino]-4-oxidanylidene-2-phenyl-butanoate Openeye Name: (2S)-4-(4-bromo-2-chloro-anilino)-4-oxo-2-phenyl-butanoate CAS Name: (2S)-4-(4-bromo-2-chloroanilino)-4-oxo-2-phenylbutanoate IUPAC Name: (2S)-4-(4-bromo-2-chloroanilino)-4-oxo-2-phenylbutanoate Traditional Name: (2S)-4-(4-bromo-2-chloro-anilino)-4-keto-2-phenyl-butyrate Formula: C16H12BrClNO3- MolecularWeight: 381.62838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=C(C=C(C=C2)Br)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)NC2=C(C=C(C=C2)Br)Cl)C(=O)[O-]

InChI

InChI=1S/C16H13BrClNO3/c17-11-6-7-14(13(18)8-11)19-15(20)9-12(16(21)22)10-4-2-1-3-5-10/h1-8,12H,9H2,(H,19,20)(H,21,22)/p-1/t12-/m0/s1