4-(2-chloranyl-3-nitro-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-(2-chloranyl-3-nitro-phenyl)-2-(fluoranylmethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(2-chloro-3-nitro-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(2-chloro-3-nitrophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(2-chloro-3-nitrophenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(2-chloro-3-nitro-phenyl)-2-(fluoromethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C15H12ClFN2O6 MolecularWeight: 370.716983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClFN2O6/c1-6-10(14(20)21)11(12(15(22)23)8(5-17)18-6)7-3-2-4-9(13(7)16)19(24)25/h2-4,11,18H,5H2,1H3,(H,20,21)(H,22,23)