N-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[(3-nitrophenyl)amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-(3-nitroanilino)-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-(3-nitroanilino)-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(3-nitroanilino)-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-(3-nitroanilino)butyl]adamantane-1-carboxamide Formula: C21H27N3O4 MolecularWeight: 385.45678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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