(4-chloranyl-3,5-dimethyl-phenyl) 4-methyl-3-nitro-benzoate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-methyl-3-nitro-benzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClNO4/c1-9-4-5-12(8-14(9)18(20)21)16(19)22-13-6-10(2)15(17)11(3)7-13/h4-8H,1-3H3