diethyl 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-bis[2-(1-imidazolyl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C27H30N6O6 MolecularWeight: 534.5637

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CCN3C=CN=C3)CCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CCN3C=CN=C3)CCN4C=CN=C4

InChI

InChI=1S/C27H30N6O6/c1-3-38-26(34)24-21(8-12-31-14-10-28-17-31)30-22(9-13-32-15-11-29-18-32)25(27(35)39-4-2)23(24)19-6-5-7-20(16-19)33(36)37/h5-7,10-11,14-18,23,30H,3-4,8-9,12-13H2,1-2H3