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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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