(4-methyl-2,6-dinitro-phenyl) ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O6/c1-5-3-7(10(13)14)9(17-6(2)12)8(4-5)11(15)16/h3-4H,1-2H3