(3,5-dimethylphenyl)methyl 2-chloranyl-4-nitro-benzoate

Systemtic Name: (3,5-dimethylphenyl)methyl 2-chloranyl-4-nitro-benzoate Openeye Name: (3,5-dimethylphenyl)methyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid (3,5-dimethylbenzyl) ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClNO4/c1-10-5-11(2)7-12(6-10)9-22-16(19)14-4-3-13(18(20)21)8-15(14)17/h3-8H,9H2,1-2H3