[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate

Systemtic Name: [2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl] adamantane-2-carboxylate Openeye Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl] ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC(=O)NCCNC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H27N3O5/c25-19(23-6-5-22-17-1-3-18(4-2-17)24(27)28)12-29-21(26)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-4,13-16,20,22H,5-12H2,(H,23,25)