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

Systemtic Name: (2,3,6-trimethylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (2,3,6-trimethylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2,3,6-trimethylphenyl) ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4/c1-10-5-6-11(2)16(13(10)4)22-17(19)14-7-8-15(18(20)21)12(3)9-14/h5-9H,1-4H3