methyl 5-methyl-2,4-dinitro-benzoate

Systemtic Name: methyl 5-methyl-2,4-dinitro-benzoate Openeye Name: methyl 5-methyl-2,4-dinitro-benzoate CAS Name: 5-methyl-2,4-dinitrobenzoic acid methyl ester IUPAC Name: methyl 5-methyl-2,4-dinitrobenzoate Traditional Name: 5-methyl-2,4-dinitro-benzoic acid methyl ester Formula: C9H8N2O6 MolecularWeight: 240.16962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O6/c1-5-3-6(9(12)17-2)8(11(15)16)4-7(5)10(13)14/h3-4H,1-2H3