methyl 2,6-diethynyl-5-(methylperoxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-diethynyl-5-(methylperoxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-diethynyl-5-(methylperoxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-diethynyl-5-(methyldioxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-diethynyl-5-(methylperoxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2,6-diethynyl-5-(methylperoxymethyl)-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])COOC)C#C)C#C

Isomeric SMILES

COC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])COOC)C#C)C#C

InChI

InChI=1S/C19H16N2O6/c1-5-14-13(11-27-26-4)17(12-9-7-8-10-16(12)21(23)24)18(19(22)25-3)15(6-2)20-14/h1-2,7-10,17,20H,11H2,3-4H3