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

Systemtic Name: O3-(2,2-dimethylpropyl) O5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-piperazin-1-yl-4-prop-2-enyl-pyridine-3,5-dicarboxylate Openeye Name: O3-(2,2-dimethylpropyl) O5-methyl 4-allyl-2,6-dimethyl-4-(3-nitrophenyl)-1-piperazin-1-yl-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-(1-piperazinyl)-4-prop-2-enylpyridine-3,5-dicarboxylic acid O3-(2,2-dimethylpropyl) ester O5-methyl ester IUPAC Name: 3-O-(2,2-dimethylpropyl) 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-piperazin-1-yl-4-prop-2-enylpyridine-3,5-dicarboxylate Traditional Name: 4-allyl-2,6-dimethyl-4-(3-nitrophenyl)-1-piperazino-pyridine-3,5-dicarboxylic acid O5-methyl ester O3-neopentyl ester Formula: C28H38N4O6 MolecularWeight: 526.62452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1N2CCNCC2)C)C(=O)OCC(C)(C)C)(CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1N2CCNCC2)C)C(=O)OCC(C)(C)C)(CC=C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H38N4O6/c1-8-12-28(21-10-9-11-22(17-21)32(35)36)23(25(33)37-7)19(2)31(30-15-13-29-14-16-30)20(3)24(28)26(34)38-18-27(4,5)6/h8-11,17,29H,1,12-16,18H2,2-7H3