3-[2-methyl-3-[2-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]-4-nitro-benzoate

Systemtic Name: 3-[2-methyl-3-[2-(morpholin-4-ylcarbonylamino)ethylamino]-3-oxidanyl-butan-2-yl]-4-nitro-benzoate Openeye Name: 3-[2-hydroxy-1,1-dimethyl-2-[2-(morpholine-4-carbonylamino)ethylamino]propyl]-4-nitro-benzoate CAS Name: 3-[3-hydroxy-2-methyl-3-[2-[[4-morpholinyl(oxo)methyl]amino]ethylamino]butan-2-yl]-4-nitrobenzoate IUPAC Name: 3-[3-hydroxy-2-methyl-3-[2-(morpholine-4-carbonylamino)ethylamino]butan-2-yl]-4-nitrobenzoate Traditional Name: 3-[2-hydroxy-1,1-dimethyl-2-[2-(morpholine-4-carbonylamino)ethylamino]propyl]-4-nitro-benzoate Formula: C19H27N4O7- MolecularWeight: 423.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O7/c1-18(2,14-12-13(16(24)25)4-5-15(14)23(28)29)19(3,27)21-7-6-20-17(26)22-8-10-30-11-9-22/h4-5,12,21,27H,6-11H2,1-3H3,(H,20,26)(H,24,25)/p-1