1-carboxyoxypropan-2-yl carbonate; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: 1-carboxyoxypropan-2-yl carbonate; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: (2-carboxyoxy-1-methyl-ethyl) carbonate; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 1-carboxyoxypropan-2-yl carbonate; 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: 1-carboxyoxypropan-2-yl carbonate; dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (2-carboxyoxy-1-methyl-ethyl) carbonate; 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C22H25N2O12- MolecularWeight: 509.4401

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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.CC(COC(=O)O)OC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6.C5H8O6/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;1-3(11-5(8)9)2-10-4(6)7/h5-8,15,18H,1-4H3;3H,2H2,1H3,(H,6,7)(H,8,9)/p-1