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

Systemtic Name: N-butyl-2-chloranyl-N-(cyanomethyl)-4-nitro-benzamide Openeye Name: N-butyl-2-chloro-N-(cyanomethyl)-4-nitro-benzamide CAS Name: N-butyl-2-chloro-N-(cyanomethyl)-4-nitrobenzamide IUPAC Name: N-butyl-2-chloro-N-(cyanomethyl)-4-nitrobenzamide Traditional Name: N-butyl-2-chloro-N-(cyanomethyl)-4-nitro-benzamide Formula: C13H14ClN3O3 MolecularWeight: 295.72156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O3/c1-2-3-7-16(8-6-15)13(18)11-5-4-10(17(19)20)9-12(11)14/h4-5,9H,2-3,7-8H2,1H3