5-nitro-6-(phenylmethyl)-4-[4-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-nitro-6-(phenylmethyl)-4-[4-(trifluoromethyloxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-benzyl-5-nitro-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-nitro-6-(phenylmethyl)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-benzyl-5-nitro-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-benzyl-5-nitro-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C20H15F3N2O5 MolecularWeight: 420.33871

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C(C(=CN2)C(=O)O)C3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C(C(=CN2)C(=O)O)C3=CC=C(C=C3)OC(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H15F3N2O5/c21-20(22,23)30-14-8-6-13(7-9-14)17-15(19(26)27)11-24-16(18(17)25(28)29)10-12-4-2-1-3-5-12/h1-9,11,17,24H,10H2,(H,26,27)