5-methyl-4-nitro-benzene-1,3-dicarboxylic acid

Systemtic Name: 5-methyl-4-nitro-benzene-1,3-dicarboxylic acid Openeye Name: 5-methyl-4-nitro-benzene-1,3-dicarboxylic acid CAS Name: 5-methyl-4-nitrobenzene-1,3-dicarboxylic acid IUPAC Name: 5-methyl-4-nitrobenzene-1,3-dicarboxylic acid Traditional Name: 5-methyl-4-nitro-isophthalic acid Formula: C9H7NO6 MolecularWeight: 225.15498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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