2,4-dimethyl-5-nitro-benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-dimethyl-5-nitro-benzene-1,3-dicarboxylic acid Openeye Name: 2,4-dimethyl-5-nitro-benzene-1,3-dicarboxylic acid CAS Name: 2,4-dimethyl-5-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 2,4-dimethyl-5-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 2,4-dimethyl-5-nitro-isophthalic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6/c1-4-6(9(12)13)3-7(11(16)17)5(2)8(4)10(14)15/h3H,1-2H3,(H,12,13)(H,14,15)