3-[2-(3,4-dinitrophenoxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3-[2-(3,4-dinitrophenoxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-[2-(3,4-dinitrophenoxy)ethoxy]piperidine-1-carboxylate CAS Name: 3-[2-(3,4-dinitrophenoxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3-[2-(3,4-dinitrophenoxy)ethoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-[2-(3,4-dinitrophenoxy)ethoxy]piperidine-1-carboxylate Formula: C30H32N3O10- MolecularWeight: 594.58918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCCOC4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)OCCOC4=CC(=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C30H33N3O10/c34-30(35)31-14-13-26(23-7-9-24(10-8-23)41-16-4-15-40-21-22-5-2-1-3-6-22)29(20-31)43-18-17-42-25-11-12-27(32(36)37)28(19-25)33(38)39/h1-3,5-12,19,26,29H,4,13-18,20-21H2,(H,34,35)/p-1