4-(2-ethylhexylamino)-4-oxidanylidene-but-2-ynoic acid

Systemtic Name: 4-(2-ethylhexylamino)-4-oxidanylidene-but-2-ynoic acid Openeye Name: 4-(2-ethylhexylamino)-4-oxo-but-2-ynoic acid CAS Name: 4-(2-ethylhexylamino)-4-oxo-2-butynoic acid IUPAC Name: 4-(2-ethylhexylamino)-4-oxobut-2-ynoic acid Traditional Name: 4-(2-ethylhexylamino)-4-keto-but-2-ynoic acid Formula: C12H19NO3 MolecularWeight: 225.28416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C#CC(=O)O

Isomeric SMILES

CCCCC(CC)CNC(=O)C#CC(=O)O

InChI

InChI=1S/C12H19NO3/c1-3-5-6-10(4-2)9-13-11(14)7-8-12(15)16/h10H,3-6,9H2,1-2H3,(H,13,14)(H,15,16)