N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitro-benzamide Openeye Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitro-benzamide CAS Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitrobenzamide Traditional Name: N-[[(3R,5S)-3,5-dimethyl-1-adamantyl]methyl]-4-nitro-benzamide Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N2O3/c1-18-7-14-8-19(2,10-18)12-20(9-14,11-18)13-21-17(23)15-3-5-16(6-4-15)22(24)25/h3-6,14H,7-13H2,1-2H3,(H,21,23)/t14?,18-,19+,20?