O5-(2,2-dimethylpropyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-piperazin-1-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate

Systemtic Name: O5-(2,2-dimethylpropyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-piperazin-1-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Openeye Name: O5-(2,2-dimethylpropyl) O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-piperazin-1-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-3-(1-piperazinyl)-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O5-(2,2-dimethylpropyl) ester O3-methyl ester IUPAC Name: 5-O-(2,2-dimethylpropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3-piperazin-1-yl-2,4-dihydro-1H-pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-3-piperazino-2,4-dihydro-1H-pyridine-3,5-dicarboxylic acid O3-methyl ester O5-neopentyl ester Formula: C25H36N4O6 MolecularWeight: 488.57654

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(=C(N1)C)C(=O)OCC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])(C(=O)OC)N3CCNCC3

Isomeric SMILES

CC1C(C(C(=C(N1)C)C(=O)OCC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])(C(=O)OC)N3CCNCC3

InChI

InChI=1S/C25H36N4O6/c1-16-20(22(30)35-15-24(3,4)5)21(18-8-7-9-19(14-18)29(32)33)25(17(2)27-16,23(31)34-6)28-12-10-26-11-13-28/h7-9,14,17,21,26-27H,10-13,15H2,1-6H3