methyl 4-methanoyl-3,5-dinitro-benzoate

Systemtic Name: methyl 4-methanoyl-3,5-dinitro-benzoate Openeye Name: methyl 4-formyl-3,5-dinitro-benzoate CAS Name: 4-formyl-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 4-formyl-3,5-dinitrobenzoate Traditional Name: 4-formyl-3,5-dinitro-benzoic acid methyl ester Formula: C9H6N2O7 MolecularWeight: 254.15314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6N2O7/c1-18-9(13)5-2-7(10(14)15)6(4-12)8(3-5)11(16)17/h2-4H,1H3