6-(diethoxymethyl)-5-ethoxycarbonyl-2-(2-methyl-4-nitro-phenyl)-1,4-dihydropyridine-3-carboxylate; N,N-diethylethanamine

Systemtic Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-(2-methyl-4-nitro-phenyl)-1,4-dihydropyridine-3-carboxylate; N,N-diethylethanamine Openeye Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-(2-methyl-4-nitro-phenyl)-1,4-dihydropyridine-3-carboxylate; N,N-diethylethanamine CAS Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-(2-methyl-4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; N,N-diethylethanamine IUPAC Name: 6-(diethoxymethyl)-5-ethoxycarbonyl-2-(2-methyl-4-nitrophenyl)-1,4-dihydropyridine-3-carboxylate; N,N-diethylethanamine Traditional Name: 5-carbethoxy-6-(diethoxymethyl)-2-(2-methyl-4-nitro-phenyl)-1,4-dihydropyridine-3-carboxylate; triethylamine Formula: C27H40N3O8- MolecularWeight: 534.6218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CCOC(C1=C(CC(=C(N1)C2=C(C=C(C=C2)[N+](=O)[O-])C)C(=O)[O-])C(=O)OCC)OCC

Isomeric SMILES

CCN(CC)CC.CCOC(C1=C(CC(=C(N1)C2=C(C=C(C=C2)[N+](=O)[O-])C)C(=O)[O-])C(=O)OCC)OCC

InChI

InChI=1S/C21H26N2O8.C6H15N/c1-5-29-20(26)16-11-15(19(24)25)17(22-18(16)21(30-6-2)31-7-3)14-9-8-13(23(27)28)10-12(14)4;1-4-7(5-2)6-3/h8-10,21-22H,5-7,11H2,1-4H3,(H,24,25);4-6H2,1-3H3/p-1