2-(5-methyl-2,4-dinitro-phenyl)ethanoic acid

Systemtic Name: 2-(5-methyl-2,4-dinitro-phenyl)ethanoic acid Openeye Name: 2-(5-methyl-2,4-dinitro-phenyl)acetic acid CAS Name: 2-(5-methyl-2,4-dinitrophenyl)acetic acid IUPAC Name: 2-(5-methyl-2,4-dinitrophenyl)acetic acid Traditional Name: 2-(5-methyl-2,4-dinitro-phenyl)acetic acid Formula: C9H8N2O6 MolecularWeight: 240.16962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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