(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6/c21-18(24)14-1-2-15(16(4-14)22(26)27)10-28-17(23)9-19-5-12-3-13(6-19)8-20(25,7-12)11-19/h1-2,4,12-13,25H,3,5-11H2,(H2,21,24)