diethyl 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-[4-(nitrooxymethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)CO[N+](=O)[O-])C(=O)OCC)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)CO[N+](=O)[O-])C(=O)OCC)C)C

InChI

InChI=1S/C20H24N2O7/c1-5-27-19(23)16-12(3)21-13(4)17(20(24)28-6-2)18(16)15-9-7-14(8-10-15)11-29-22(25)26/h7-10,18,21H,5-6,11H2,1-4H3