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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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