(2,6-dimethylphenyl) 5-chloranyl-2-nitro-benzoate

Systemtic Name: (2,6-dimethylphenyl) 5-chloranyl-2-nitro-benzoate Openeye Name: (2,6-dimethylphenyl) 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid (2,6-dimethylphenyl) ester Formula: C15H12ClNO4 MolecularWeight: 305.71308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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