[2-acetyloxy-5-(1-adamantylcarbamoyl)-3-nitro-phenyl] ethanoate

Systemtic Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-nitro-phenyl] ethanoate Openeye Name: [2-acetoxy-5-(1-adamantylcarbamoyl)-3-nitro-phenyl] acetate CAS Name: acetic acid [2-acetyloxy-5-[(1-adamantylamino)-oxomethyl]-3-nitrophenyl] ester IUPAC Name: [2-acetyloxy-5-(1-adamantylcarbamoyl)-3-nitrophenyl] acetate Traditional Name: acetic acid [2-acetoxy-5-(1-adamantylcarbamoyl)-3-nitro-phenyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)OC1=CC(=CC(=C1OC(=O)C)[N+](=O)[O-])C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H24N2O7/c1-11(24)29-18-7-16(6-17(23(27)28)19(18)30-12(2)25)20(26)22-21-8-13-3-14(9-21)5-15(4-13)10-21/h6-7,13-15H,3-5,8-10H2,1-2H3,(H,22,26)