4-chloranyl-N-(cyanomethyl)-2-nitro-benzamide

Systemtic Name: 4-chloranyl-N-(cyanomethyl)-2-nitro-benzamide Openeye Name: 4-chloro-N-(cyanomethyl)-2-nitro-benzamide CAS Name: 4-chloro-N-(cyanomethyl)-2-nitrobenzamide IUPAC Name: 4-chloro-N-(cyanomethyl)-2-nitrobenzamide Traditional Name: 4-chloro-N-(cyanomethyl)-2-nitro-benzamide Formula: C9H6ClN3O3 MolecularWeight: 239.61524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)NCC#N

Isomeric SMILES

C1=CC(=C(C=C1Cl)[N+](=O)[O-])C(=O)NCC#N

InChI

InChI=1S/C9H6ClN3O3/c10-6-1-2-7(8(5-6)13(15)16)9(14)12-4-3-11/h1-2,5H,4H2,(H,12,14)