N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-2-(dimethylamino)-5-nitro-benzamide Formula: C20H27N3O3 MolecularWeight: 357.44668

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O3/c1-22(2)18-4-3-16(23(25)26)8-17(18)19(24)21-12-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15H,5-7,9-12H2,1-2H3,(H,21,24)