dihexyl 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Systemtic Name: dihexyl 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Openeye Name: dihexyl 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate CAS Name: 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dihexyl ester IUPAC Name: dihexyl 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate Traditional Name: 1-but-3-enyl-2,6-dimethyl-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dihexyl ester Formula: C31H44N2O6 MolecularWeight: 540.69086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCC)C)CCC=C)C

Isomeric SMILES

CCCCCCOC(=O)C1=C(N(C(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCCCCC)C)CCC=C)C

InChI

InChI=1S/C31H44N2O6/c1-6-9-12-14-20-38-30(34)27-23(4)32(19-11-8-3)24(5)28(31(35)39-21-15-13-10-7-2)29(27)25-17-16-18-26(22-25)33(36)37/h8,16-18,22,29H,3,6-7,9-15,19-21H2,1-2,4-5H3