N-[1-(1-adamantyl)propan-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)propan-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[2-(1-adamantyl)-1-methyl-ethyl]-3,5-dinitro-benzamide CAS Name: N-[1-(1-adamantyl)propan-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[1-(1-adamantyl)propan-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[2-(1-adamantyl)-1-methyl-ethyl]-3,5-dinitro-benzamide Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(CC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5/c1-12(8-20-9-13-2-14(10-20)4-15(3-13)11-20)21-19(24)16-5-17(22(25)26)7-18(6-16)23(27)28/h5-7,12-15H,2-4,8-11H2,1H3,(H,21,24)