(2-nitrophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate

Systemtic Name: (2-nitrophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate Openeye Name: (2-nitrophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate CAS Name: 2-[(1-adamantylamino)-oxomethyl]benzoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(1-adamantylcarbamoyl)benzoate Traditional Name: 2-(1-adamantylcarbamoyl)benzoic acid (2-nitrobenzyl) ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4C(=O)OCC5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O5/c28-23(26-25-12-16-9-17(13-25)11-18(10-16)14-25)20-6-2-3-7-21(20)24(29)32-15-19-5-1-4-8-22(19)27(30)31/h1-8,16-18H,9-15H2,(H,26,28)