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

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

CCN(C(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(C(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3O5/c1-2-24(22-9-14-5-15(10-22)7-16(6-14)11-22)20(26)12-23-18-8-17(25(28)29)3-4-19(18)30-13-21(23)27/h3-4,8,14-16H,2,5-7,9-13H2,1H3