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

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

Systemtic Name:methyl 3-methyl-2,6-dinitro-benzoate
Openeye Name:methyl 3-methyl-2,6-dinitro-benzoate
CAS Name:3-methyl-2,6-dinitrobenzoic acid methyl ester
IUPAC Name:methyl 3-methyl-2,6-dinitrobenzoate
Traditional Name:3-methyl-2,6-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)[N+](=O)[O-])C(=O)OC)[N+](=O)[O-]


Isomeric SMILES

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


InChI

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


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