O5-[3-(4-methanoylpiperazin-1-yl)-2,2-dimethyl-propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O5-[3-(4-methanoylpiperazin-1-yl)-2,2-dimethyl-propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O5-[3-(4-formylpiperazin-1-yl)-2,2-dimethyl-propyl] O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4-formyl-1-piperazinyl)-2,2-dimethylpropyl] ester O3-methyl ester IUPAC Name: 5-O-[3-(4-formylpiperazin-1-yl)-2,2-dimethylpropyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O5-[3-(4-formylpiperazino)-2,2-dimethyl-propyl] ester O3-methyl ester Formula: C26H34N4O7 MolecularWeight: 514.57076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCN(CC2)C=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OCC(C)(C)CN2CCN(CC2)C=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C26H34N4O7/c1-17-21(24(32)36-5)23(19-7-6-8-20(13-19)30(34)35)22(18(2)27-17)25(33)37-15-26(3,4)14-28-9-11-29(16-31)12-10-28/h6-8,13,16,23,27H,9-12,14-15H2,1-5H3