N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(1-adamantylmethyl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H28N2O6/c1-27-16-7-15(17(23(25)26)19(29-3)18(16)28-2)20(24)22-11-21-8-12-4-13(9-21)6-14(5-12)10-21/h7,12-14H,4-6,8-11H2,1-3H3,(H,22,24)