N-(1-adamantyl)-2-methyl-3,5-dinitro-benzamide

Systemtic Name: N-(1-adamantyl)-2-methyl-3,5-dinitro-benzamide Openeye Name: N-(1-adamantyl)-2-methyl-3,5-dinitro-benzamide CAS Name: N-(1-adamantyl)-2-methyl-3,5-dinitrobenzamide IUPAC Name: N-(1-adamantyl)-2-methyl-3,5-dinitrobenzamide Traditional Name: N-(1-adamantyl)-2-methyl-3,5-dinitro-benzamide Formula: C18H21N3O5 MolecularWeight: 359.37644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5/c1-10-15(5-14(20(23)24)6-16(10)21(25)26)17(22)19-18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13H,2-4,7-9H2,1H3,(H,19,22)