2-(2-methyl-4,6-dinitro-phenyl)ethanoic acid

Systemtic Name: 2-(2-methyl-4,6-dinitro-phenyl)ethanoic acid Openeye Name: 2-(2-methyl-4,6-dinitro-phenyl)acetic acid CAS Name: 2-(2-methyl-4,6-dinitrophenyl)acetic acid IUPAC Name: 2-(2-methyl-4,6-dinitrophenyl)acetic acid Traditional Name: 2-(2-methyl-4,6-dinitro-phenyl)acetic acid Formula: C9H8N2O6 MolecularWeight: 240.16962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1CC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C9H8N2O6/c1-5-2-6(10(14)15)3-8(11(16)17)7(5)4-9(12)13/h2-3H,4H2,1H3,(H,12,13)