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

Systemtic Name: N-(cyanomethyl)-3,5-dinitro-benzamide Openeye Name: N-(cyanomethyl)-3,5-dinitro-benzamide CAS Name: N-(cyanomethyl)-3,5-dinitrobenzamide IUPAC Name: N-(cyanomethyl)-3,5-dinitrobenzamide Traditional Name: N-(cyanomethyl)-3,5-dinitro-benzamide Formula: C9H6N4O5 MolecularWeight: 250.16774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N4O5/c10-1-2-11-9(14)6-3-7(12(15)16)5-8(4-6)13(17)18/h3-5H,2H2,(H,11,14)