2-(1-adamantyl)-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-[(2-chloranyl-4-nitro-phenyl)amino]propyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitroanilino)propyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-(2-chloro-4-nitro-anilino)propyl]acetamide Formula: C21H28ClN3O3 MolecularWeight: 405.91832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)NCCCNC4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)NCCCNC4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H28ClN3O3/c22-18-9-17(25(27)28)2-3-19(18)23-4-1-5-24-20(26)13-21-10-14-6-15(11-21)8-16(7-14)12-21/h2-3,9,14-16,23H,1,4-8,10-13H2,(H,24,26)