diethyl 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-[2-(4-nitrophenyl)ethynyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC(=C(C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=CNC(=C(C1C#CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C20H20N2O6/c1-4-27-19(23)17-12-21-13(3)18(20(24)28-5-2)16(17)11-8-14-6-9-15(10-7-14)22(25)26/h6-7,9-10,12,16,21H,4-5H2,1-3H3