4-[[3-(methylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[3-(methylamino)-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 4-[[3-(methylamino)-3-oxo-propanoyl]amino]benzoic acid CAS Name: 4-[[3-(methylamino)-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 4-[[3-(methylamino)-3-oxopropanoyl]amino]benzoic acid Traditional Name: 4-[[3-keto-3-(methylamino)propanoyl]amino]benzoic acid Formula: C11H12N2O4 MolecularWeight: 236.22398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O4/c1-12-9(14)6-10(15)13-8-4-2-7(3-5-8)11(16)17/h2-5H,6H2,1H3,(H,12,14)(H,13,15)(H,16,17)