N-(4-butoxyphenyl)-3,5-dinitro-benzamide

Systemtic Name: N-(4-butoxyphenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-butoxyphenyl)-3,5-dinitro-benzamide CAS Name: N-(4-butoxyphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-butoxyphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-butoxyphenyl)-3,5-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-2-3-8-26-16-6-4-13(5-7-16)18-17(21)12-9-14(19(22)23)11-15(10-12)20(24)25/h4-7,9-11H,2-3,8H2,1H3,(H,18,21)