ethyl 4-oxidanylidene-6-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1H-cinnoline-3-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-6-[2,2,2-tris(chloranyl)ethoxycarbonylamino]-1H-cinnoline-3-carboxylate Openeye Name: ethyl 4-oxo-6-(2,2,2-trichloroethoxycarbonylamino)-1H-cinnoline-3-carboxylate CAS Name: 4-oxo-6-[[oxo(2,2,2-trichloroethoxy)methyl]amino]-1H-cinnoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-6-(2,2,2-trichloroethoxycarbonylamino)-1H-cinnoline-3-carboxylate Traditional Name: 4-keto-6-(2,2,2-trichloroethoxycarbonylamino)-1H-cinnoline-3-carboxylic acid ethyl ester Formula: C14H12Cl3N3O5 MolecularWeight: 408.62118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CCOC(=O)C1=NNC2=C(C1=O)C=C(C=C2)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C14H12Cl3N3O5/c1-2-24-12(22)10-11(21)8-5-7(3-4-9(8)19-20-10)18-13(23)25-6-14(15,16)17/h3-5H,2,6H2,1H3,(H,18,23)(H,19,21)