2-[4-(3-oxidanylidenebutanoylamino)phenyl]ethanoic acid

Systemtic Name: 2-[4-(3-oxidanylidenebutanoylamino)phenyl]ethanoic acid Openeye Name: 2-[4-(3-oxobutanoylamino)phenyl]acetic acid CAS Name: 2-[4-(1,3-dioxobutylamino)phenyl]acetic acid IUPAC Name: 2-[4-(3-oxobutanoylamino)phenyl]acetic acid Traditional Name: 2-[4-(acetoacetylamino)phenyl]acetic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-8(14)6-11(15)13-10-4-2-9(3-5-10)7-12(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,16,17)