O3-methyl O5-propan-2-yl 2-cyano-6-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-propan-2-yl 2-cyano-6-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-isopropyl O3-methyl 2-cyano-6-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-cyano-6-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester IUPAC Name: 3-O-methyl 5-O-propan-2-yl 2-cyano-6-(hydroxymethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-cyano-6-methylol-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-isopropyl ester O3-methyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7/c1-10(2)29-19(25)17-14(9-23)21-13(8-20)16(18(24)28-3)15(17)11-5-4-6-12(7-11)22(26)27/h4-7,10,15,21,23H,9H2,1-3H3