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

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

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)CN4C(=O)COC5=C4C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-13(22-8-14-4-15(9-22)6-16(5-14)10-22)23-20(26)11-24-18-7-17(25(28)29)2-3-19(18)30-12-21(24)27/h2-3,7,13-16H,4-6,8-12H2,1H3,(H,23,26)