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

Systemtic Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[4-(1,1-dimethylpropyl)cyclohexyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-(4-tert-amylcyclohexyl)-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O5/c1-4-21(2,3)14-5-7-15(8-6-14)22-19(25)12-23-17-11-16(24(27)28)9-10-18(17)29-13-20(23)26/h9-11,14-15H,4-8,12-13H2,1-3H3,(H,22,25)