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

Systemtic Name: (2,3,6-trimethylphenyl) 3-methyl-2-nitro-benzoate Openeye Name: (2,3,6-trimethylphenyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-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=C(C(=CC=C2)C)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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