[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C25H33N3O6/c1-16(25-12-17-8-18(13-25)10-19(9-17)14-25)26-23(29)15-34-24(30)21-11-20(28(31)32)2-3-22(21)27-4-6-33-7-5-27/h2-3,11,16-19H,4-10,12-15H2,1H3,(H,26,29)/t16-,17?,18?,19?,25?/m0/s1