2-chloranyl-N-(cyanomethyl)-3,5-dinitro-benzamide

Systemtic Name: 2-chloranyl-N-(cyanomethyl)-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-(cyanomethyl)-3,5-dinitro-benzamide CAS Name: 2-chloro-N-(cyanomethyl)-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-(cyanomethyl)-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-(cyanomethyl)-3,5-dinitro-benzamide Formula: C9H5ClN4O5 MolecularWeight: 284.6128

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)NCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)NCC#N)[N+](=O)[O-]

InChI

InChI=1S/C9H5ClN4O5/c10-8-6(9(15)12-2-1-11)3-5(13(16)17)4-7(8)14(18)19/h3-4H,2H2,(H,12,15)