methyl 3-chloranyl-2,6-dinitro-benzoate

Systemtic Name: methyl 3-chloranyl-2,6-dinitro-benzoate Openeye Name: methyl 3-chloro-2,6-dinitro-benzoate CAS Name: 3-chloro-2,6-dinitrobenzoic acid methyl ester IUPAC Name: methyl 3-chloro-2,6-dinitrobenzoate Traditional Name: 3-chloro-2,6-dinitro-benzoic acid methyl ester Formula: C8H5ClN2O6 MolecularWeight: 260.5881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H5ClN2O6/c1-17-8(12)6-5(10(13)14)3-2-4(9)7(6)11(15)16/h2-3H,1H3