5-chloranyl-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide

Systemtic Name: 5-chloranyl-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Openeye Name: 5-chloro-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide CAS Name: 5-chloro-N-[2-(1-imidazolyl)ethyl]-2,4-dinitrobenzamide IUPAC Name: 5-chloro-N-(2-imidazol-1-ylethyl)-2,4-dinitrobenzamide Traditional Name: 5-chloro-N-(2-imidazol-1-ylethyl)-2,4-dinitro-benzamide Formula: C12H10ClN5O5 MolecularWeight: 339.6913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClN5O5/c13-9-5-8(10(17(20)21)6-11(9)18(22)23)12(19)15-2-4-16-3-1-14-7-16/h1,3,5-7H,2,4H2,(H,15,19)