O3-ethyl O5-(3-nitrooxypropyl) 2-azanyl-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(3-nitrooxypropyl) 2-azanyl-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(3-nitrooxypropyl) 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-nitrooxypropyl) ester IUPAC Name: 3-O-ethyl 5-O-(3-nitrooxypropyl) 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-amino-4-(3-cyanophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(3-nitrooxypropyl) ester Formula: C20H22N4O7 MolecularWeight: 430.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7/c1-3-29-20(26)17-16(14-7-4-6-13(10-14)11-21)15(12(2)23-18(17)22)19(25)30-8-5-9-31-24(27)28/h4,6-7,10,16,23H,3,5,8-9,22H2,1-2H3