[4-[bis(azanyl)methylidenecarbamoyloxymethyl]-2-(trifluoromethyl)phenyl] quinoline-2-carboxylate

Systemtic Name: [4-[bis(azanyl)methylidenecarbamoyloxymethyl]-2-(trifluoromethyl)phenyl] quinoline-2-carboxylate Openeye Name: [4-(diaminomethylenecarbamoyloxymethyl)-2-(trifluoromethyl)phenyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-[[(diaminomethylideneamino)-oxomethoxy]methyl]-2-(trifluoromethyl)phenyl] ester IUPAC Name: [4-(diaminomethylidenecarbamoyloxymethyl)-2-(trifluoromethyl)phenyl] quinoline-2-carboxylate Traditional Name: quinaldic acid [4-(diaminomethylenecarbamoyloxymethyl)-2-(trifluoromethyl)phenyl] ester Formula: C20H15F3N4O4 MolecularWeight: 432.35271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OC3=C(C=C(C=C3)COC(=O)N=C(N)N)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OC3=C(C=C(C=C3)COC(=O)N=C(N)N)C(F)(F)F

InChI

InChI=1S/C20H15F3N4O4/c21-20(22,23)13-9-11(10-30-19(29)27-18(24)25)5-8-16(13)31-17(28)15-7-6-12-3-1-2-4-14(12)26-15/h1-9H,10H2,(H4,24,25,27,29)