4-[[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]amino]benzoic acid

Systemtic Name: 4-[[2-(cyanomethylamino)-2-oxidanylidene-ethanoyl]amino]benzoic acid Openeye Name: 4-[[2-(cyanomethylamino)-2-oxo-acetyl]amino]benzoic acid CAS Name: 4-[[2-(cyanomethylamino)-1,2-dioxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(cyanomethylamino)-2-oxoacetyl]amino]benzoic acid Traditional Name: 4-[[2-(cyanomethylamino)-2-keto-acetyl]amino]benzoic acid Formula: C11H9N3O4 MolecularWeight: 247.20686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)C(=O)NCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)C(=O)NCC#N

InChI

InChI=1S/C11H9N3O4/c12-5-6-13-9(15)10(16)14-8-3-1-7(2-4-8)11(17)18/h1-4H,6H2,(H,13,15)(H,14,16)(H,17,18)