(2,3,6-trimethylphenyl) 4-chloranyl-3-nitro-benzoate

Systemtic Name: (2,3,6-trimethylphenyl) 4-chloranyl-3-nitro-benzoate Openeye Name: (2,3,6-trimethylphenyl) 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C16H14ClNO4 MolecularWeight: 319.73966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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