4-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl]amino]butanoic acid Openeye Name: 4-[[2-(2-cyanoanilino)-2-oxo-ethyl]amino]butanoic acid CAS Name: 4-[[2-(2-cyanoanilino)-2-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-(2-cyanoanilino)-2-oxoethyl]amino]butanoic acid Traditional Name: 4-[[2-(2-cyanoanilino)-2-keto-ethyl]amino]butyric acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3/c14-8-10-4-1-2-5-11(10)16-12(17)9-15-7-3-6-13(18)19/h1-2,4-5,15H,3,6-7,9H2,(H,16,17)(H,18,19)