methyl 2-[[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]-ethanoyl-amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 2-[[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-chloranyl-phenyl]-ethanoyl-amino]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 2-[N-acetyl-3-chloro-5-(3-guanidinooxypropoxy)anilino]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[N-acetyl-3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 2-[N-acetyl-3-chloro-5-[3-(diaminomethylideneamino)oxypropoxy]anilino]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[N-acetyl-3-chloro-5-(3-guanidinooxypropoxy)anilino]acetic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C17H22ClF3N4O7 MolecularWeight: 486.82739

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CC(=O)OC)C1=CC(=CC(=C1)Cl)OCCCON=C(N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(=O)N(CC(=O)OC)C1=CC(=CC(=C1)Cl)OCCCON=C(N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C15H21ClN4O5.C2HF3O2/c1-10(21)20(9-14(22)23-2)12-6-11(16)7-13(8-12)24-4-3-5-25-19-15(17)18;3-2(4,5)1(6)7/h6-8H,3-5,9H2,1-2H3,(H4,17,18,19);(H,6,7)