[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)ethanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 2-(2-nitrophenyl)acetate CAS Name: 2-(2-nitrophenyl)acetic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 2-(2-nitrophenyl)acetate Traditional Name: 2-(2-nitrophenyl)acetic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c25-18(12-30-19(26)8-16-3-1-2-4-17(16)24(28)29)22-20(27)23-21-9-13-5-14(10-21)7-15(6-13)11-21/h1-4,13-15H,5-12H2,(H2,22,23,25,27)