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

Systemtic Name: 4-[[2-(cyanomethylamino)-2-oxidanylidene-ethyl]amino]benzoic acid Openeye Name: 4-[[2-(cyanomethylamino)-2-oxo-ethyl]amino]benzoic acid CAS Name: 4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(cyanomethylamino)-2-oxoethyl]amino]benzoic acid Traditional Name: 4-[[2-(cyanomethylamino)-2-keto-ethyl]amino]benzoic acid Formula: C11H11N3O3 MolecularWeight: 233.22334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O3/c12-5-6-13-10(15)7-14-9-3-1-8(2-4-9)11(16)17/h1-4,14H,6-7H2,(H,13,15)(H,16,17)