N-(2-adamantyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(2-adamantyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(2-adamantyl)-4-morpholino-3-nitro-benzamide CAS Name: N-(2-adamantyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(2-adamantyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-adamantyl)-4-morpholino-3-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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