methyl 4-morpholin-4-yl-3,5-dinitro-benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3,5-dinitro-benzoate Openeye Name: methyl 4-morpholino-3,5-dinitro-benzoate CAS Name: 4-(4-morpholinyl)-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3,5-dinitrobenzoate Traditional Name: 4-morpholino-3,5-dinitro-benzoic acid methyl ester Formula: C12H13N3O7 MolecularWeight: 311.24752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O7/c1-21-12(16)8-6-9(14(17)18)11(10(7-8)15(19)20)13-2-4-22-5-3-13/h6-7H,2-5H2,1H3