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

Systemtic Name: 2-[[2-cyano-3-(propylamino)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-cyano-3-(propylamino)anilino]-2-oxo-acetic acid CAS Name: 2-[2-cyano-3-(propylamino)anilino]-2-oxoacetic acid IUPAC Name: 2-[2-cyano-3-(propylamino)anilino]-2-oxoacetic acid Traditional Name: 2-[2-cyano-3-(propylamino)anilino]-2-keto-acetic acid Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)O

Isomeric SMILES

CCCNC1=CC=CC(=C1C#N)NC(=O)C(=O)O

InChI

InChI=1S/C12H13N3O3/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)