4-chloranyl-N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide

Systemtic Name: 4-chloranyl-N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide Openeye Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide CAS Name: 4-chloro-N-[3-(1-imidazolyl)propyl]-3,5-dinitrobenzamide IUPAC Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-3,5-dinitrobenzamide Traditional Name: 4-chloro-N-(3-imidazol-1-ylpropyl)-3,5-dinitro-benzamide Formula: C13H12ClN5O5 MolecularWeight: 353.71788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)CCCNC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=N1)CCCNC(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H12ClN5O5/c14-12-10(18(21)22)6-9(7-11(12)19(23)24)13(20)16-2-1-4-17-5-3-15-8-17/h3,5-8H,1-2,4H2,(H,16,20)