4-[(4-methoxy-3,5-dinitro-phenyl)methyl]morpholin-4-ium

Systemtic Name: 4-[(4-methoxy-3,5-dinitro-phenyl)methyl]morpholin-4-ium Openeye Name: 4-[(4-methoxy-3,5-dinitro-phenyl)methyl]morpholin-4-ium CAS Name: 4-[(4-methoxy-3,5-dinitrophenyl)methyl]morpholin-4-ium IUPAC Name: 4-[(4-methoxy-3,5-dinitrophenyl)methyl]morpholin-4-ium Traditional Name: 4-(4-methoxy-3,5-dinitro-benzyl)morpholin-4-ium Formula: C12H16N3O6+ MolecularWeight: 298.27194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1[N+](=O)[O-])C[NH+]2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1[N+](=O)[O-])C[NH+]2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O6/c1-20-12-10(14(16)17)6-9(7-11(12)15(18)19)8-13-2-4-21-5-3-13/h6-7H,2-5,8H2,1H3/p+1