methyl 5-imidazol-1-ylcarbonyl-2-methyl-4-(4-nitrophenyl)-6-propyl-pyridine-3-carboxylate

Systemtic Name: methyl 5-imidazol-1-ylcarbonyl-2-methyl-4-(4-nitrophenyl)-6-propyl-pyridine-3-carboxylate Openeye Name: methyl 5-(imidazole-1-carbonyl)-2-methyl-4-(4-nitrophenyl)-6-propyl-pyridine-3-carboxylate CAS Name: 5-[1-imidazolyl(oxo)methyl]-2-methyl-4-(4-nitrophenyl)-6-propyl-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-(imidazole-1-carbonyl)-2-methyl-4-(4-nitrophenyl)-6-propylpyridine-3-carboxylate Traditional Name: 5-(imidazole-1-carbonyl)-2-methyl-4-(4-nitrophenyl)-6-propyl-nicotinic acid methyl ester Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C(=C1C(=O)N2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCCC1=NC(=C(C(=C1C(=O)N2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C21H20N4O5/c1-4-5-16-19(20(26)24-11-10-22-12-24)18(17(13(2)23-16)21(27)30-3)14-6-8-15(9-7-14)25(28)29/h6-12H,4-5H2,1-3H3