O5-ethyl O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenylpiperazin-1-yl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenylpiperazin-1-yl)-4H-pyridine-3,5-dicarboxylate Openeye Name: O5-ethyl O3-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenylpiperazin-1-yl)-4H-pyridine-3,5-dicarboxylate CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenyl-1-piperazinyl)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester IUPAC Name: 5-O-ethyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenylpiperazin-1-yl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 2,6-dimethyl-4-(3-nitrophenyl)-1-(2-phenylpiperazino)-4H-pyridine-3,5-dicarboxylic acid O5-ethyl ester O3-methyl ester Formula: C28H32N4O6 MolecularWeight: 520.57688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)N3CCNCC3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)N3CCNCC3C4=CC=CC=C4)C

InChI

InChI=1S/C28H32N4O6/c1-5-38-28(34)25-19(3)31(30-15-14-29-17-23(30)20-10-7-6-8-11-20)18(2)24(27(33)37-4)26(25)21-12-9-13-22(16-21)32(35)36/h6-13,16,23,26,29H,5,14-15,17H2,1-4H3