(2-chloranyl-5-methyl-phenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2-chloro-5-methyl-phenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2-chloro-5-methyl-phenyl) ester Formula: C14H9Cl2NO4 MolecularWeight: 326.13156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9Cl2NO4/c1-8-2-4-11(16)13(6-8)21-14(18)9-3-5-10(15)12(7-9)17(19)20/h2-7H,1H3