5-[2-acetamido-3-(methylamino)-3-oxidanylidene-propyl]-2-(carboxymethyloxy)benzoic acid

Systemtic Name: 5-[2-acetamido-3-(methylamino)-3-oxidanylidene-propyl]-2-(carboxymethyloxy)benzoic acid Openeye Name: 5-[2-acetamido-3-(methylamino)-3-oxo-propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 5-[2-acetamido-3-(methylamino)-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid IUPAC Name: 5-[2-acetamido-3-(methylamino)-3-oxopropyl]-2-(carboxymethyloxy)benzoic acid Traditional Name: 5-[2-acetamido-3-keto-3-(methylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C15H18N2O7 MolecularWeight: 338.31262

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)C(=O)NC

Isomeric SMILES

CC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)C(=O)O)C(=O)NC

InChI

InChI=1S/C15H18N2O7/c1-8(18)17-11(14(21)16-2)6-9-3-4-12(24-7-13(19)20)10(5-9)15(22)23/h3-5,11H,6-7H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)