N-[2-(1-adamantyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCNC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c26-20(23-4-3-22-9-14-5-15(10-22)7-16(6-14)11-22)12-24-18-8-17(25(28)29)1-2-19(18)30-13-21(24)27/h1-2,8,14-16H,3-7,9-13H2,(H,23,26)