2-(3-oxidanylidene-3-phenylazanyl-propyl)propanedioic acid

Systemtic Name: 2-(3-oxidanylidene-3-phenylazanyl-propyl)propanedioic acid Openeye Name: 2-(3-anilino-3-oxo-propyl)propanedioic acid CAS Name: 2-(3-anilino-3-oxopropyl)propanedioic acid IUPAC Name: 2-(3-anilino-3-oxopropyl)propanedioic acid Traditional Name: 2-(3-anilino-3-keto-propyl)malonic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c14-10(13-8-4-2-1-3-5-8)7-6-9(11(15)16)12(17)18/h1-5,9H,6-7H2,(H,13,14)(H,15,16)(H,17,18)