N-[3-(1-adamantylmethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-(1-adamantylmethylamino)-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-(1-adamantylmethylamino)-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-(1-adamantylmethylamino)-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-(1-adamantylmethylamino)-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(1-adamantylmethylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)CCNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O4/c25-19(5-6-22-20(26)17-1-3-18(4-2-17)24(27)28)23-13-21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16H,5-13H2,(H,22,26)(H,23,25)