O3-methyl O5-(2-nitrooxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(2-nitrooxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(2-nitrooxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester IUPAC Name: 3-O-methyl 5-O-(2-nitrooxyethyl) 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-nitrooxyethyl) ester Formula: C18H19FN2O7 MolecularWeight: 394.351063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=CC=CC=C2F)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCCO[N+](=O)[O-])C2=CC=CC=C2F)C(=O)OC

InChI

InChI=1S/C18H19FN2O7/c1-10-14(17(22)26-3)16(12-6-4-5-7-13(12)19)15(11(2)20-10)18(23)27-8-9-28-21(24)25/h4-7,16,20H,8-9H2,1-3H3