2-(1-adamantyl)-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide

Systemtic Name: 2-(1-adamantyl)-N-[3-[(4-nitrophenyl)amino]propyl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[3-(4-nitroanilino)propyl]acetamide CAS Name: 2-(1-adamantyl)-N-[3-(4-nitroanilino)propyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[3-(4-nitroanilino)propyl]acetamide Traditional Name: 2-(1-adamantyl)-N-[3-(4-nitroanilino)propyl]acetamide Formula: C21H29N3O3 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O3/c25-20(14-21-11-15-8-16(12-21)10-17(9-15)13-21)23-7-1-6-22-18-2-4-19(5-3-18)24(26)27/h2-5,15-17,22H,1,6-14H2,(H,23,25)