methyl 2-cyano-6-methyl-4-(3-nitrophenyl)-5-(propan-2-ylperoxymethyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2-cyano-6-methyl-4-(3-nitrophenyl)-5-(propan-2-ylperoxymethyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2-cyano-5-(isopropylperoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2-cyano-6-methyl-4-(3-nitrophenyl)-5-(propan-2-yldioxymethyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-cyano-6-methyl-4-(3-nitrophenyl)-5-(propan-2-ylperoxymethyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-cyano-5-(isopropylperoxymethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])COOC(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])COOC(C)C

InChI

InChI=1S/C19H21N3O6/c1-11(2)28-27-10-15-12(3)21-16(9-20)18(19(23)26-4)17(15)13-6-5-7-14(8-13)22(24)25/h5-8,11,17,21H,10H2,1-4H3