diethyl (4S)-4-(2-chloranyl-5-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl (4S)-4-(2-chloranyl-5-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-4-(2-chloro-5-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-4-(2-chloro-5-nitrophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-4-(2-chloro-5-nitro-phenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H21ClN2O6 MolecularWeight: 408.83284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN2O6/c1-5-27-18(23)15-10(3)21-11(4)16(19(24)28-6-2)17(15)13-9-12(22(25)26)7-8-14(13)20/h7-9,15,17H,5-6H2,1-4H3/t15?,17-/m0/s1