ethyl 2,3,6-tris(chloranyl)-5-nitro-benzoate

Systemtic Name: ethyl 2,3,6-tris(chloranyl)-5-nitro-benzoate Openeye Name: ethyl 2,3,6-trichloro-5-nitro-benzoate CAS Name: 2,3,6-trichloro-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 2,3,6-trichloro-5-nitrobenzoate Traditional Name: 2,3,6-trichloro-5-nitro-benzoic acid ethyl ester Formula: C9H6Cl3NO4 MolecularWeight: 298.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C9H6Cl3NO4/c1-2-17-9(14)6-7(11)4(10)3-5(8(6)12)13(15)16/h3H,2H2,1H3