(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-methyl-4-nitro-benzoate

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 3-methyl-4-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-keto-1-methyl-2-morpholino-ethyl) ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC(C)C(=O)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-10-9-12(3-4-13(10)17(20)21)15(19)23-11(2)14(18)16-5-7-22-8-6-16/h3-4,9,11H,5-8H2,1-2H3