dimethyl 2-(3-chloranyl-3-cyclohexyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 2-(3-chloranyl-3-cyclohexyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-(3-chloro-3-cyclohexyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(3-chloro-3-cyclohexylpropyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-(3-chloro-3-cyclohexylpropyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(3-chloro-3-cyclohexyl-propyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C24H29ClN2O6 MolecularWeight: 476.94986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC(C3CCCCC3)Cl

Isomeric SMILES

COC(=O)C1=CNC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)CCC(C3CCCCC3)Cl

InChI

InChI=1S/C24H29ClN2O6/c1-32-23(28)18-14-26-20(12-11-19(25)15-7-4-3-5-8-15)22(24(29)33-2)21(18)16-9-6-10-17(13-16)27(30)31/h6,9-10,13-15,19,21,26H,3-5,7-8,11-12H2,1-2H3