[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-nitro-benzoate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 2-morpholino-5-nitro-benzoate CAS Name: 2-(4-morpholinyl)-5-nitrobenzoic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate Traditional Name: 2-morpholino-5-nitro-benzoic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCOCC2

InChI

InChI=1S/C18H25N3O6/c1-12(2)13(3)19-17(22)11-27-18(23)15-10-14(21(24)25)4-5-16(15)20-6-8-26-9-7-20/h4-5,10,12-13H,6-9,11H2,1-3H3,(H,19,22)/t13-/m0/s1