4-chloranyl-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid

Systemtic Name: 4-chloranyl-4-oxidanylidene-3-[(phenylmethyl)amino]butanoic acid Openeye Name: 3-(benzylamino)-4-chloro-4-oxo-butanoic acid CAS Name: 4-chloro-4-oxo-3-[(phenylmethyl)amino]butanoic acid IUPAC Name: 3-(benzylamino)-4-chloro-4-oxobutanoic acid Traditional Name: 3-(benzylamino)-4-chloro-4-keto-butyric acid Formula: C11H12ClNO3 MolecularWeight: 241.67088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)Cl

InChI

InChI=1S/C11H12ClNO3/c12-11(16)9(6-10(14)15)13-7-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,14,15)