[2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H25ClN2O6 MolecularWeight: 496.9395

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)COC(=O)C4=CC=CC=C4NC(=O)C5=C(C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H25ClN2O6/c27-21-10-18(29(33)34)5-6-19(21)24(31)28-22-4-2-1-3-20(22)25(32)35-14-23(30)26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2,(H,28,31)