N-(1-adamantyl)-4-nitro-3-oxidanyl-benzamide

Systemtic Name: N-(1-adamantyl)-4-nitro-3-oxidanyl-benzamide Openeye Name: N-(1-adamantyl)-3-hydroxy-4-nitro-benzamide CAS Name: N-(1-adamantyl)-3-hydroxy-4-nitrobenzamide IUPAC Name: N-(1-adamantyl)-3-hydroxy-4-nitrobenzamide Traditional Name: N-(1-adamantyl)-3-hydroxy-4-nitro-benzamide Formula: C17H20N2O4 MolecularWeight: 316.3517

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC(=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C17H20N2O4/c20-15-6-13(1-2-14(15)19(22)23)16(21)18-17-7-10-3-11(8-17)5-12(4-10)9-17/h1-2,6,10-12,20H,3-5,7-9H2,(H,18,21)