4-[[(2S)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]benzoic acid

Systemtic Name: 4-[[(2S)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]benzoic acid Openeye Name: 4-[[(1S)-1-carboxypropyl]amino]benzoic acid CAS Name: 4-[[(2S)-1-hydroxy-1-oxobutan-2-yl]amino]benzoic acid IUPAC Name: 4-[[(2S)-1-hydroxy-1-oxobutan-2-yl]amino]benzoic acid Traditional Name: 4-[[(1S)-1-carboxypropyl]amino]benzoic acid Formula: C11H13NO4 MolecularWeight: 223.22522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC[C@@H](C(=O)O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H13NO4/c1-2-9(11(15)16)12-8-5-3-7(4-6-8)10(13)14/h3-6,9,12H,2H2,1H3,(H,13,14)(H,15,16)/t9-/m0/s1