bis(2-methoxyethyl) (4R)-4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: bis(2-methoxyethyl) (4R)-4-(4-chloranyl-3-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: bis(2-methoxyethyl) (4R)-4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4R)-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methoxyethyl) ester IUPAC Name: bis(2-methoxyethyl) (4R)-4-(4-chloro-3-nitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4R)-4-(4-chloro-3-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid bis(2-methoxyethyl) ester Formula: C21H25ClN2O8 MolecularWeight: 468.8848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OCCOC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC)C

Isomeric SMILES

CC1=NC(=C([C@H](C1C(=O)OCCOC)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OCCOC)C

InChI

InChI=1S/C21H25ClN2O8/c1-12-17(20(25)31-9-7-29-3)19(14-5-6-15(22)16(11-14)24(27)28)18(13(2)23-12)21(26)32-10-8-30-4/h5-6,11,17,19H,7-10H2,1-4H3/t17?,19-/m0/s1