4-[[(2R)-2-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-2-(carboxymethyl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2-(carboxymethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2-(carboxymethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2-(carboxymethyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-2-(carboxymethyl)-3-keto-1,4-benzoxazin-4-yl]methyl]benzoic acid Formula: C18H15NO6 MolecularWeight: 341.3148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(O2)CC(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)[C@H](O2)CC(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15NO6/c20-16(21)9-15-17(22)19(13-3-1-2-4-14(13)25-15)10-11-5-7-12(8-6-11)18(23)24/h1-8,15H,9-10H2,(H,20,21)(H,23,24)/t15-/m1/s1