N'-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]adamantane-1-carbohydrazide

Systemtic Name: N'-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]adamantane-1-carbohydrazide Openeye Name: N'-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]adamantane-1-carbohydrazide CAS Name: N'-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-adamantanecarbohydrazide IUPAC Name: N'-[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]adamantane-1-carbohydrazide Traditional Name: N'-[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]adamantane-1-carbohydrazide Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O6/c26-18(10-24-16-6-15(25(29)30)1-2-17(16)31-11-19(24)27)22-23-20(28)21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,12-14H,3-5,7-11H2,(H,22,26)(H,23,28)