methyl 3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate

Systemtic Name: methyl 3-(3,5-dinitro-4-oxidanyl-phenyl)propanoate Openeye Name: methyl 3-(4-hydroxy-3,5-dinitro-phenyl)propanoate CAS Name: 3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-hydroxy-3,5-dinitrophenyl)propanoate Traditional Name: 3-(4-hydroxy-3,5-dinitro-phenyl)propionic acid methyl ester Formula: C10H10N2O7 MolecularWeight: 270.1956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O7/c1-19-9(13)3-2-6-4-7(11(15)16)10(14)8(5-6)12(17)18/h4-5,14H,2-3H2,1H3