N-(2-adamantyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-adamantyl)-2-morpholino-5-nitro-benzamide CAS Name: N-(2-adamantyl)-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-adamantyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2-adamantyl)-2-morpholino-5-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C21H27N3O4/c25-21(22-20-15-8-13-7-14(10-15)11-16(20)9-13)18-12-17(24(26)27)1-2-19(18)23-3-5-28-6-4-23/h1-2,12-16,20H,3-11H2,(H,22,25)