2-benzamido-2-[(4-carboxy-2-oxidanyl-phenyl)methyl]propanedioic acid

Systemtic Name: 2-benzamido-2-[(4-carboxy-2-oxidanyl-phenyl)methyl]propanedioic acid Openeye Name: 2-benzamido-2-[(4-carboxy-2-hydroxy-phenyl)methyl]propanedioic acid CAS Name: 2-benzamido-2-[(4-carboxy-2-hydroxyphenyl)methyl]propanedioic acid IUPAC Name: 2-benzamido-2-[(4-carboxy-2-hydroxyphenyl)methyl]propanedioic acid Traditional Name: 2-benzamido-2-(4-carboxy-2-hydroxy-benzyl)malonic acid Formula: C18H15NO8 MolecularWeight: 373.3136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2)C(=O)O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CC2=C(C=C(C=C2)C(=O)O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C18H15NO8/c20-13-8-11(15(22)23)6-7-12(13)9-18(16(24)25,17(26)27)19-14(21)10-4-2-1-3-5-10/h1-8,20H,9H2,(H,19,21)(H,22,23)(H,24,25)(H,26,27)