3-morpholin-4-yl-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid

Systemtic Name: 3-morpholin-4-yl-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid Openeye Name: 3-morpholino-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid CAS Name: 3-(4-morpholinyl)-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid IUPAC Name: 3-morpholin-4-yl-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid Traditional Name: 3-morpholino-6-[3-(trifluoromethyl)phenyl]-3H-pyridazine-2,4-dicarboxylic acid Formula: C17H16F3N3O5 MolecularWeight: 399.32125

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2C(=CC(=NN2C(=O)O)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1COCCN1C2C(=CC(=NN2C(=O)O)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H16F3N3O5/c18-17(19,20)11-3-1-2-10(8-11)13-9-12(15(24)25)14(23(21-13)16(26)27)22-4-6-28-7-5-22/h1-3,8-9,14H,4-7H2,(H,24,25)(H,26,27)