dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol

Systemtic Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Openeye Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; 2-(2-methyl-5-nitro-1-imidazolyl)ethanol IUPAC Name: dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate; 2-(2-methyl-5-nitroimidazol-1-yl)ethanol Traditional Name: 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester; 2-(2-methyl-5-nitro-imidazol-1-yl)ethanol Formula: C23H27N5O9 MolecularWeight: 517.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC.CC1=NC=C(N1CCO)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC.CC1=NC=C(N1CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O6.C6H9N3O3/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23;1-5-7-4-6(9(11)12)8(5)2-3-10/h5-8,15,18H,1-4H3;4,10H,2-3H2,1H3