sodium 2-[[3-(butylamino)-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: sodium 2-[[3-(butylamino)-2-cyano-phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-[3-(butylamino)-2-cyano-anilino]-2-oxo-acetate CAS Name: sodium 2-[3-(butylamino)-2-cyanoanilino]-2-oxoacetate IUPAC Name: sodium 2-[3-(butylamino)-2-cyanoanilino]-2-oxoacetate Traditional Name: sodium 2-[3-(butylamino)-2-cyano-anilino]-2-keto-acetate Formula: C13H14N3NaO3 MolecularWeight: 283.25833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H15N3O3.Na/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);/q;+1/p-1