4-[4-(2-diethylaminoethylamino)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 4-[4-(2-diethylaminoethylamino)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-[4-(2-diethylaminoethylamino)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-[4-(2-diethylaminoethylamino)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-[4-(2-diethylaminoethylamino)-3-nitrophenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-[4-(2-diethylaminoethylamino)-3-nitro-phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C21H28N4O6 MolecularWeight: 432.47022

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C(C=C(C=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C(C=C(C=C1)C2C(=C(NC(=C2C(=O)O)C)C)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O6/c1-5-24(6-2)10-9-22-15-8-7-14(11-16(15)25(30)31)19-17(20(26)27)12(3)23-13(4)18(19)21(28)29/h7-8,11,19,22-23H,5-6,9-10H2,1-4H3,(H,26,27)(H,28,29)