3-ethyl-6-methyl-4-(3-nitrophenyl)-1-[3,3,3-tris(fluoranyl)propyl]-4H-pyridazine-5-carboxylic acid

Systemtic Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-[3,3,3-tris(fluoranyl)propyl]-4H-pyridazine-5-carboxylic acid Openeye Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3,3,3-trifluoropropyl)-4H-pyridazine-5-carboxylic acid CAS Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3,3,3-trifluoropropyl)-4H-pyridazine-5-carboxylic acid IUPAC Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3,3,3-trifluoropropyl)-4H-pyridazine-5-carboxylic acid Traditional Name: 3-ethyl-6-methyl-4-(3-nitrophenyl)-1-(3,3,3-trifluoropropyl)-4H-pyridazine-5-carboxylic acid Formula: C17H18F3N3O4 MolecularWeight: 385.33773

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CCC(F)(F)F

Isomeric SMILES

CCC1=NN(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)CCC(F)(F)F

InChI

InChI=1S/C17H18F3N3O4/c1-3-13-15(11-5-4-6-12(9-11)23(26)27)14(16(24)25)10(2)22(21-13)8-7-17(18,19)20/h4-6,9,15H,3,7-8H2,1-2H3,(H,24,25)