3-azanyl-4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 3-azanyl-4-[2-(cyanomethylamino)-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-(cyanomethylamino)-2-oxo-ethoxy]benzoic acid CAS Name: 3-amino-4-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid Traditional Name: 3-amino-4-[2-(cyanomethylamino)-2-keto-ethoxy]benzoic acid Formula: C11H11N3O4 MolecularWeight: 249.22274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4/c12-3-4-14-10(15)6-18-9-2-1-7(11(16)17)5-8(9)13/h1-2,5H,4,6,13H2,(H,14,15)(H,16,17)