2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 2-methyl-5-nitro-4-(3-nitrophenyl)-6-(trifluoromethyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C14H10F3N3O6 MolecularWeight: 373.24091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C(F)(F)F)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C(F)(F)F)[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H10F3N3O6/c1-6-9(13(21)22)10(7-3-2-4-8(5-7)19(23)24)11(20(25)26)12(18-6)14(15,16)17/h2-5,10,18H,1H3,(H,21,22)