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

Systemtic Name: N-(4-butylphenyl)-3,5-dinitro-benzamide Openeye Name: N-(4-butylphenyl)-3,5-dinitro-benzamide CAS Name: N-(4-butylphenyl)-3,5-dinitrobenzamide IUPAC Name: N-(4-butylphenyl)-3,5-dinitrobenzamide Traditional Name: N-(4-butylphenyl)-3,5-dinitro-benzamide Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O5/c1-2-3-4-12-5-7-14(8-6-12)18-17(21)13-9-15(19(22)23)11-16(10-13)20(24)25/h5-11H,2-4H2,1H3,(H,18,21)