[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c24-17(11-29-18(25)15-2-1-3-16(7-15)23(27)28)21-19(26)22-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,12-14H,4-6,8-11H2,(H2,21,22,24,26)