dimethyl 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate CAS Name: 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylate Traditional Name: 1-[3-(4-nitrophenyl)propyl]imidazole-4,5-dicarboxylic acid dimethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C=N1)CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC(=O)C1=C(N(C=N1)CCCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H17N3O6/c1-24-15(20)13-14(16(21)25-2)18(10-17-13)9-3-4-11-5-7-12(8-6-11)19(22)23/h5-8,10H,3-4,9H2,1-2H3