2-methyl-5-nitro-benzene-1,3-dicarboxylate

Systemtic Name: 2-methyl-5-nitro-benzene-1,3-dicarboxylate Openeye Name: 2-methyl-5-nitro-benzene-1,3-dicarboxylate CAS Name: 2-methyl-5-nitrobenzene-1,3-dicarboxylate IUPAC Name: 2-methyl-5-nitrobenzene-1,3-dicarboxylate Traditional Name: 2-methyl-5-nitro-isophthalate Formula: C9H5NO6-2 MolecularWeight: 223.1391

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO6/c1-4-6(8(11)12)2-5(10(15)16)3-7(4)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)/p-2