2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2,6-bis[2-(1-imidazolyl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2,6-bis(2-imidazol-1-ylethyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C23H22N6O6 MolecularWeight: 478.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)CCN3C=CN=C3)CCN4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2C(=C(NC(=C2C(=O)O)CCN3C=CN=C3)CCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C23H22N6O6/c30-22(31)20-17(4-8-27-10-6-24-13-27)26-18(5-9-28-11-7-25-14-28)21(23(32)33)19(20)15-2-1-3-16(12-15)29(34)35/h1-3,6-7,10-14,19,26H,4-5,8-9H2,(H,30,31)(H,32,33)