methyl 2-methyl-3,5-dinitro-benzoate

Systemtic Name: methyl 2-methyl-3,5-dinitro-benzoate Openeye Name: methyl 2-methyl-3,5-dinitro-benzoate CAS Name: 2-methyl-3,5-dinitrobenzoic acid methyl ester IUPAC Name: methyl 2-methyl-3,5-dinitrobenzoate Traditional Name: 2-methyl-3,5-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=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1C(=O)OC)[N+](=O)[O-])[N+](=O)[O-]

InChI

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