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

Systemtic Name: (3,5-dimethylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (3,5-dimethylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (3,5-dimethylphenyl) ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClNO4/c1-9-5-10(2)7-12(6-9)21-15(18)11-3-4-13(16)14(8-11)17(19)20/h3-8H,1-2H3