N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(dimethylamino)-5-nitro-benzamide Formula: C21H29N3O3 MolecularWeight: 371.47326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c1-13(21-10-14-6-15(11-21)8-16(7-14)12-21)22-20(25)18-9-17(24(26)27)4-5-19(18)23(2)3/h4-5,9,13-16H,6-8,10-12H2,1-3H3,(H,22,25)/t13-,14?,15?,16?,21?/m1/s1