2-[3-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propyl]-2-phenoxy-propanedioic acid

Systemtic Name: 2-[3-oxidanylidene-3-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]propyl]-2-phenoxy-propanedioic acid Openeye Name: 2-[3-[(4-hydroxy-4-oxo-butanoyl)amino]-3-oxo-propyl]-2-phenoxy-propanedioic acid CAS Name: 2-[3-[(4-hydroxy-1,4-dioxobutyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid IUPAC Name: 2-[3-[(4-hydroxy-4-oxobutanoyl)amino]-3-oxopropyl]-2-phenoxypropanedioic acid Traditional Name: 2-[3-[(4-hydroxy-4-keto-butanoyl)amino]-3-keto-propyl]-2-phenoxy-malonic acid Formula: C16H17NO9 MolecularWeight: 367.30748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC(=O)NC(=O)CCC(=O)O)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCC(=O)NC(=O)CCC(=O)O)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO9/c18-11(6-7-13(20)21)17-12(19)8-9-16(14(22)23,15(24)25)26-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,20,21)(H,22,23)(H,24,25)(H,17,18,19)