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

Systemtic Name: N-[3-[(3-nitrophenyl)amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-(3-nitroanilino)-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-(3-nitroanilino)-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(3-nitroanilino)-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-(3-nitroanilino)propyl]adamantane-1-carboxamide Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O4/c24-18(22-16-2-1-3-17(9-16)23(26)27)4-5-21-19(25)20-10-13-6-14(11-20)8-15(7-13)12-20/h1-3,9,13-15H,4-8,10-12H2,(H,21,25)(H,22,24)