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

Systemtic Name: sodium 2-[[2-cyano-3-(propylamino)phenyl]amino]-2-oxidanylidene-ethanoate Openeye Name: sodium 2-[2-cyano-3-(propylamino)anilino]-2-oxo-acetate CAS Name: sodium 2-[2-cyano-3-(propylamino)anilino]-2-oxoacetate IUPAC Name: sodium 2-[2-cyano-3-(propylamino)anilino]-2-oxoacetate Traditional Name: sodium 2-[2-cyano-3-(propylamino)anilino]-2-keto-acetate Formula: C12H12N3NaO3 MolecularWeight: 269.23175

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)[O-].[Na+]

Isomeric SMILES

CCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)[O-].[Na+]

InChI

InChI=1S/C12H13N3O3.Na/c1-2-6-14-9-4-3-5-10(8(9)7-13)15-11(16)12(17)18;/h3-5,14H,2,6H2,1H3,(H,15,16)(H,17,18);/q;+1/p-1