N-[1-(1-adamantyloxy)-2-methyl-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[1-(1-adamantyloxy)-2-methyl-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[2-(1-adamantyloxy)-1,1-dimethyl-ethyl]-4-nitro-benzamide CAS Name: N-[1-(1-adamantyloxy)-2-methylpropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[1-(1-adamantyloxy)-2-methylpropan-2-yl]-4-nitrobenzamide Traditional Name: N-[2-(1-adamantyloxy)-1,1-dimethyl-ethyl]-4-nitro-benzamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(COC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O4/c1-20(2,22-19(24)17-3-5-18(6-4-17)23(25)26)13-27-21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,14-16H,7-13H2,1-2H3,(H,22,24)