[3-(3-oxidanylidenebutanoylamino)phenyl] hydrogen carbonate

Systemtic Name: [3-(3-oxidanylidenebutanoylamino)phenyl] hydrogen carbonate Openeye Name: [3-(3-oxobutanoylamino)phenyl] hydrogen carbonate CAS Name: carbonic acid [3-(1,3-dioxobutylamino)phenyl] ester IUPAC Name: [3-(3-oxobutanoylamino)phenyl] hydrogen carbonate Traditional Name: carbonic acid [3-(acetoacetylamino)phenyl] ester Formula: C11H11NO5 MolecularWeight: 237.20874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC(=CC=C1)OC(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC(=CC=C1)OC(=O)O

InChI

InChI=1S/C11H11NO5/c1-7(13)5-10(14)12-8-3-2-4-9(6-8)17-11(15)16/h2-4,6H,5H2,1H3,(H,12,14)(H,15,16)