N-[4-(2-methylpropoxy)phenyl]-3,5-dinitro-benzamide

Systemtic Name: N-[4-(2-methylpropoxy)phenyl]-3,5-dinitro-benzamide Openeye Name: N-(4-isobutoxyphenyl)-3,5-dinitro-benzamide CAS Name: N-[4-(2-methylpropoxy)phenyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-(2-methylpropoxy)phenyl]-3,5-dinitrobenzamide Traditional Name: N-(4-isobutoxyphenyl)-3,5-dinitro-benzamide Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6/c1-11(2)10-26-16-5-3-13(4-6-16)18-17(21)12-7-14(19(22)23)9-15(8-12)20(24)25/h3-9,11H,10H2,1-2H3,(H,18,21)