N-heptan-2-yl-2,4-dinitro-benzamide

Systemtic Name: N-heptan-2-yl-2,4-dinitro-benzamide Openeye Name: N-(1-methylhexyl)-2,4-dinitro-benzamide CAS Name: N-heptan-2-yl-2,4-dinitrobenzamide IUPAC Name: N-heptan-2-yl-2,4-dinitrobenzamide Traditional Name: N-(1-methylhexyl)-2,4-dinitro-benzamide Formula: C14H19N3O5 MolecularWeight: 309.31776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O5/c1-3-4-5-6-10(2)15-14(18)12-8-7-11(16(19)20)9-13(12)17(21)22/h7-10H,3-6H2,1-2H3,(H,15,18)