2-[[3-(butylamino)-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3-(butylamino)-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-(butylamino)-2-cyano-anilino]-2-oxo-acetic acid CAS Name: 2-[3-(butylamino)-2-cyanoanilino]-2-oxoacetic acid IUPAC Name: 2-[3-(butylamino)-2-cyanoanilino]-2-oxoacetic acid Traditional Name: 2-[3-(butylamino)-2-cyano-anilino]-2-keto-acetic acid Formula: C13H15N3O3 MolecularWeight: 261.2765

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)O

Isomeric SMILES

CCCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)O

InChI

InChI=1S/C13H15N3O3/c1-2-3-7-15-10-5-4-6-11(9(10)8-14)16-12(17)13(18)19/h4-6,15H,2-3,7H2,1H3,(H,16,17)(H,18,19)