(2-methoxy-5-nitro-phenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid (2-methoxy-5-nitro-benzyl) ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3=CC=CC=C3OC

InChI

InChI=1S/C25H30N2O7/c1-4-5-14-26-23(28)13-11-20(24(26)19-8-6-7-9-22(19)33-3)25(29)34-16-17-15-18(27(30)31)10-12-21(17)32-2/h6-10,12,15,20,24H,4-5,11,13-14,16H2,1-3H3