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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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