4-azanyl-2-[2-(2-cyanophenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[2-(2-cyanophenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-(2-cyanophenoxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-(2-cyanophenoxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-(2-cyanophenoxy)acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-(2-cyanophenoxy)acetyl]amino]-4-keto-butyric acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)OCC(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C#N)OCC(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C13H13N3O5/c14-6-8-3-1-2-4-10(8)21-7-12(18)16-9(13(19)20)5-11(15)17/h1-4,9H,5,7H2,(H2,15,17)(H,16,18)(H,19,20)