methyl 3,4-dinitrobenzoate

Systemtic Name: methyl 3,4-dinitrobenzoate Openeye Name: methyl 3,4-dinitrobenzoate CAS Name: 3,4-dinitrobenzoic acid methyl ester IUPAC Name: methyl 3,4-dinitrobenzoate Traditional Name: 3,4-dinitrobenzoic acid methyl ester Formula: C8H6N2O6 MolecularWeight: 226.14304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H6N2O6/c1-16-8(11)5-2-3-6(9(12)13)7(4-5)10(14)15/h2-4H,1H3