2-[[2-chloranyl-5-cyano-3-[(2-hexoxy-2-oxidanylidene-ethanoyl)amino]phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[2-chloranyl-5-cyano-3-[(2-hexoxy-2-oxidanylidene-ethanoyl)amino]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[2-chloro-5-cyano-3-[(2-hexoxy-2-oxo-acetyl)amino]anilino]-2-oxo-acetic acid CAS Name: 2-[2-chloro-5-cyano-3-[(2-hexoxy-1,2-dioxoethyl)amino]anilino]-2-oxoacetic acid IUPAC Name: 2-[2-chloro-5-cyano-3-[(2-hexoxy-2-oxoacetyl)amino]anilino]-2-oxoacetic acid Traditional Name: 2-[2-chloro-5-cyano-3-[(2-hexoxy-2-keto-acetyl)amino]anilino]-2-keto-acetic acid Formula: C17H18ClN3O6 MolecularWeight: 395.79432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(=O)NC1=CC(=CC(=C1Cl)NC(=O)C(=O)O)C#N

Isomeric SMILES

CCCCCCOC(=O)C(=O)NC1=CC(=CC(=C1Cl)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C17H18ClN3O6/c1-2-3-4-5-6-27-17(26)15(23)21-12-8-10(9-19)7-11(13(12)18)20-14(22)16(24)25/h7-8H,2-6H2,1H3,(H,20,22)(H,21,23)(H,24,25)