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

Systemtic Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 4-(4,5-dimethoxy-2-nitrophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 4-(4,5-dimethoxy-2-nitro-phenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C17H18N2O8 MolecularWeight: 378.33342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O8/c1-7-13(16(20)21)15(14(17(22)23)8(2)18-7)9-5-11(26-3)12(27-4)6-10(9)19(24)25/h5-6,15,18H,1-4H3,(H,20,21)(H,22,23)