2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate

Systemtic Name: 2-[[3-(4-chlorophenyl)-3-oxidanylidene-propyl]azaniumyl]-3-oxidanyl-butanoate Openeye Name: 2-[[3-(4-chlorophenyl)-3-oxo-propyl]ammonio]-3-hydroxy-butanoate CAS Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]ammonio]-3-hydroxybutanoate IUPAC Name: 2-[[3-(4-chlorophenyl)-3-oxopropyl]azaniumyl]-3-hydroxybutanoate Traditional Name: 2-[[3-(4-chlorophenyl)-3-keto-propyl]ammonio]-3-hydroxy-butyrate Formula: C13H16ClNO4 MolecularWeight: 285.72344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)Cl)O

Isomeric SMILES

CC(C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)Cl)O

InChI

InChI=1S/C13H16ClNO4/c1-8(16)12(13(18)19)15-7-6-11(17)9-2-4-10(14)5-3-9/h2-5,8,12,15-16H,6-7H2,1H3,(H,18,19)