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

Systemtic Name: O3-methyl O5-(3-nitrooxypropyl) 4-(3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-methyl O5-(3-nitrooxypropyl) 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-(3-nitrooxypropyl) ester IUPAC Name: 3-O-methyl 5-O-(3-nitrooxypropyl) 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-(3-nitrooxypropyl) ester Formula: C19H21FN2O7 MolecularWeight: 408.377643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN2O7/c1-11-15(18(23)27-3)17(13-6-4-7-14(20)10-13)16(12(2)21-11)19(24)28-8-5-9-29-22(25)26/h4,6-7,10,17,21H,5,8-9H2,1-3H3