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

Systemtic Name: (1-morpholin-4-yl-1-oxidanylidene-propan-2-yl) 2-methyl-3-nitro-benzoate Openeye Name: (1-methyl-2-morpholino-2-oxo-ethyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [1-(4-morpholinyl)-1-oxopropan-2-yl] ester IUPAC Name: (1-morpholin-4-yl-1-oxopropan-2-yl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OC(C)C(=O)N2CCOCC2

Isomeric SMILES

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

InChI

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