N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitro-benzamide

Systemtic Name: N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitro-benzamide Openeye Name: N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitro-benzamide CAS Name: N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitrobenzamide Traditional Name: N-(1-adamantyl)-4-(dimethylamino)-2-methoxy-5-nitro-benzamide Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)OC)C(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4/c1-22(2)16-8-18(27-3)15(7-17(16)23(25)26)19(24)21-20-9-12-4-13(10-20)6-14(5-12)11-20/h7-8,12-14H,4-6,9-11H2,1-3H3,(H,21,24)