5-[(2-ethanoylphenyl)amino]-5-oxidanylidene-pentanoic acid hydrate

Systemtic Name: 5-[(2-ethanoylphenyl)amino]-5-oxidanylidene-pentanoic acid hydrate Openeye Name: 5-(2-acetylanilino)-5-oxo-pentanoic acid hydrate CAS Name: 5-(2-acetylanilino)-5-oxopentanoic acid hydrate IUPAC Name: 5-(2-acetylanilino)-5-oxopentanoic acid hydrate Traditional Name: 5-(2-acetylanilino)-5-keto-valeric acid hydrate Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1NC(=O)CCCC(=O)O.O

Isomeric SMILES

CC(=O)C1=CC=CC=C1NC(=O)CCCC(=O)O.O

InChI

InChI=1S/C13H15NO4.H2O/c1-9(15)10-5-2-3-6-11(10)14-12(16)7-4-8-13(17)18;/h2-3,5-6H,4,7-8H2,1H3,(H,14,16)(H,17,18);1H2