[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC(=O)NC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6/c23-17(21-15-3-1-2-4-16(15)22(26)27)11-28-18(24)10-19-6-13-5-14(7-19)9-20(25,8-13)12-19/h1-4,13-14,25H,5-12H2,(H,21,23)