N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-(1-adamantyl)ethyl]-3-methyl-4-nitro-benzamide Formula: C20H26N2O3 MolecularWeight: 342.43204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O3/c1-13-6-17(2-3-18(13)22(24)25)19(23)21-5-4-20-10-14-7-15(11-20)9-16(8-14)12-20/h2-3,6,14-16H,4-5,7-12H2,1H3,(H,21,23)