O3-methyl O5-(2-methyl-2-oxidanyl-propyl) (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-methyl O5-(2-methyl-2-oxidanyl-propyl) (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-(2-hydroxy-2-methyl-propyl) O3-methyl (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-hydroxy-2-methylpropyl) ester O3-methyl ester IUPAC Name: 5-O-(2-hydroxy-2-methylpropyl) 3-O-methyl (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-(2-hydroxy-2-methyl-propyl) ester O3-methyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,17,21,25H,10H2,1-5H3/t17-/m0/s1