[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(2-chloranyl-4-nitro-phenyl)furan-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylate CAS Name: 5-(2-chloro-4-nitrophenyl)-2-furancarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(2-chloro-4-nitro-phenyl)furan-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H23ClN2O6 MolecularWeight: 458.89152

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(O4)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C23H23ClN2O6/c24-18-8-16(26(29)30)1-2-17(18)19-3-4-20(32-19)22(28)31-12-21(27)25-23-9-13-5-14(10-23)7-15(6-13)11-23/h1-4,8,13-15H,5-7,9-12H2,(H,25,27)