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

Systemtic Name: N-(1-adamantylmethyl)-3,5-dinitro-benzamide Openeye Name: N-(1-adamantylmethyl)-3,5-dinitro-benzamide CAS Name: N-(1-adamantylmethyl)-3,5-dinitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-3,5-dinitrobenzamide Traditional Name: N-(1-adamantylmethyl)-3,5-dinitro-benzamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5/c22-17(14-4-15(20(23)24)6-16(5-14)21(25)26)19-10-18-7-11-1-12(8-18)3-13(2-11)9-18/h4-6,11-13H,1-3,7-10H2,(H,19,22)