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

Systemtic Name: 2-[[2-chloranyl-5-cyano-3-[(2-oxidanylidene-2-phenylmethoxy-ethanoyl)amino]phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[3-[(2-benzyloxy-2-oxo-acetyl)amino]-2-chloro-5-cyano-anilino]-2-oxo-acetic acid CAS Name: 2-[2-chloro-5-cyano-3-[(1,2-dioxo-2-phenylmethoxyethyl)amino]anilino]-2-oxoacetic acid IUPAC Name: 2-[2-chloro-5-cyano-3-[(2-oxo-2-phenylmethoxyacetyl)amino]anilino]-2-oxoacetic acid Traditional Name: 2-[3-[(2-benzoxy-2-keto-acetyl)amino]-2-chloro-5-cyano-anilino]-2-keto-acetic acid Formula: C18H12ClN3O6 MolecularWeight: 401.75738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)NC2=CC(=CC(=C2Cl)NC(=O)C(=O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)NC2=CC(=CC(=C2Cl)NC(=O)C(=O)O)C#N

InChI

InChI=1S/C18H12ClN3O6/c19-14-12(21-15(23)17(25)26)6-11(8-20)7-13(14)22-16(24)18(27)28-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,21,23)(H,22,24)(H,25,26)