2-methyl-5-nitro-benzene-1,3-dicarboxylic acid

Systemtic Name: 2-methyl-5-nitro-benzene-1,3-dicarboxylic acid Openeye Name: 2-methyl-5-nitro-benzene-1,3-dicarboxylic acid CAS Name: 2-methyl-5-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 2-methyl-5-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 2-methyl-5-nitro-isophthalic acid Formula: C9H7NO6 MolecularWeight: 225.15498

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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)