methyl 2-(3,5-dinitro-4-oxidanyl-phenyl)ethanoate

Systemtic Name: methyl 2-(3,5-dinitro-4-oxidanyl-phenyl)ethanoate Openeye Name: methyl 2-(4-hydroxy-3,5-dinitro-phenyl)acetate CAS Name: 2-(4-hydroxy-3,5-dinitrophenyl)acetic acid methyl ester IUPAC Name: methyl 2-(4-hydroxy-3,5-dinitrophenyl)acetate Traditional Name: 2-(4-hydroxy-3,5-dinitro-phenyl)acetic acid methyl ester Formula: C9H8N2O7 MolecularWeight: 256.16902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O7/c1-18-8(12)4-5-2-6(10(14)15)9(13)7(3-5)11(16)17/h2-3,13H,4H2,1H3