N-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]adamantane-1-carboxamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H28N4O4/c26-19(23-6-5-22-17-1-3-18(4-2-17)25(28)29)13-24-20(27)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-4,14-16,22H,5-13H2,(H,23,26)(H,24,27)