4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid

Systemtic Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid Openeye Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid CAS Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid Traditional Name: 4-(3-nitrophenyl)-2-phenyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid Formula: C18H10F3N3O4 MolecularWeight: 389.28491

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=N2)C(F)(F)F)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=N2)C(F)(F)F)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H10F3N3O4/c19-18(20,21)15-13(17(25)26)14(11-7-4-8-12(9-11)24(27)28)22-16(23-15)10-5-2-1-3-6-10/h1-9H,(H,25,26)