N-(1-adamantyl)-2-nitro-4,5-bis(oxidanyl)benzamide

Systemtic Name: N-(1-adamantyl)-2-nitro-4,5-bis(oxidanyl)benzamide Openeye Name: N-(1-adamantyl)-4,5-dihydroxy-2-nitro-benzamide CAS Name: N-(1-adamantyl)-4,5-dihydroxy-2-nitrobenzamide IUPAC Name: N-(1-adamantyl)-4,5-dihydroxy-2-nitrobenzamide Traditional Name: N-(1-adamantyl)-4,5-dihydroxy-2-nitro-benzamide Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c20-14-4-12(13(19(23)24)5-15(14)21)16(22)18-17-6-9-1-10(7-17)3-11(2-9)8-17/h4-5,9-11,20-21H,1-3,6-8H2,(H,18,22)