N-(1-adamantyl)-3,5-dinitro-benzamide

Systemtic Name: N-(1-adamantyl)-3,5-dinitro-benzamide Openeye Name: N-(1-adamantyl)-3,5-dinitro-benzamide CAS Name: N-(1-adamantyl)-3,5-dinitrobenzamide IUPAC Name: N-(1-adamantyl)-3,5-dinitrobenzamide Traditional Name: N-(1-adamantyl)-3,5-dinitro-benzamide Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c21-16(13-4-14(19(22)23)6-15(5-13)20(24)25)18-17-7-10-1-11(8-17)3-12(2-10)9-17/h4-6,10-12H,1-3,7-9H2,(H,18,21)