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

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-morpholino-2-oxo-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-keto-2-morpholino-ethyl) ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O6/c1-10-8-11(2-3-12(10)16(19)20)14(18)22-9-13(17)15-4-6-21-7-5-15/h2-3,8H,4-7,9H2,1H3