2-acetamido-2-[3-(4-acetamidophenyl)-3-oxidanylidene-propyl]propanedioic acid

Systemtic Name: 2-acetamido-2-[3-(4-acetamidophenyl)-3-oxidanylidene-propyl]propanedioic acid Openeye Name: 2-acetamido-2-[3-(4-acetamidophenyl)-3-oxo-propyl]propanedioic acid CAS Name: 2-acetamido-2-[3-(4-acetamidophenyl)-3-oxopropyl]propanedioic acid IUPAC Name: 2-acetamido-2-[3-(4-acetamidophenyl)-3-oxopropyl]propanedioic acid Traditional Name: 2-acetamido-2-[3-(4-acetamidophenyl)-3-keto-propyl]malonic acid Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7/c1-9(19)17-12-5-3-11(4-6-12)13(21)7-8-16(14(22)23,15(24)25)18-10(2)20/h3-6H,7-8H2,1-2H3,(H,17,19)(H,18,20)(H,22,23)(H,24,25)