N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4,5-dimethoxy-2-nitro-benzamide Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H28N2O5/c1-12(21-9-13-4-14(10-21)6-15(5-13)11-21)22-20(24)16-7-18(27-2)19(28-3)8-17(16)23(25)26/h7-8,12-15H,4-6,9-11H2,1-3H3,(H,22,24)