2-(3-methyl-4-nitro-phenyl)propanedioic acid

Systemtic Name: 2-(3-methyl-4-nitro-phenyl)propanedioic acid Openeye Name: 2-(3-methyl-4-nitro-phenyl)propanedioic acid CAS Name: 2-(3-methyl-4-nitrophenyl)propanedioic acid IUPAC Name: 2-(3-methyl-4-nitrophenyl)propanedioic acid Traditional Name: 2-(3-methyl-4-nitro-phenyl)malonic acid Formula: C10H9NO6 MolecularWeight: 239.18156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO6/c1-5-4-6(2-3-7(5)11(16)17)8(9(12)13)10(14)15/h2-4,8H,1H3,(H,12,13)(H,14,15)