4-chloranyl-3,5-dinitro-N-pentan-2-yl-benzamide

Systemtic Name: 4-chloranyl-3,5-dinitro-N-pentan-2-yl-benzamide Openeye Name: 4-chloro-N-(1-methylbutyl)-3,5-dinitro-benzamide CAS Name: 4-chloro-3,5-dinitro-N-pentan-2-ylbenzamide IUPAC Name: 4-chloro-3,5-dinitro-N-pentan-2-ylbenzamide Traditional Name: 4-chloro-N-(1-methylbutyl)-3,5-dinitro-benzamide Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN3O5/c1-3-4-7(2)14-12(17)8-5-9(15(18)19)11(13)10(6-8)16(20)21/h5-7H,3-4H2,1-2H3,(H,14,17)