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

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-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=CC(=CC(=C1Cl)C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

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