N-hexyl-4-methyl-3,5-dinitro-benzamide

Systemtic Name: N-hexyl-4-methyl-3,5-dinitro-benzamide Openeye Name: N-hexyl-4-methyl-3,5-dinitro-benzamide CAS Name: N-hexyl-4-methyl-3,5-dinitrobenzamide IUPAC Name: N-hexyl-4-methyl-3,5-dinitrobenzamide Traditional Name: N-hexyl-4-methyl-3,5-dinitro-benzamide Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5/c1-3-4-5-6-7-15-14(18)11-8-12(16(19)20)10(2)13(9-11)17(21)22/h8-9H,3-7H2,1-2H3,(H,15,18)