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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H26N2O3/c1-12-17(4-3-5-18(12)22(24)25)19(23)21-13(2)20-9-14-6-15(10-20)8-16(7-14)11-20/h3-5,13-16H,6-11H2,1-2H3,(H,21,23)/t13-,14?,15?,16?,20?/m1/s1