(2,3,6-trimethylphenyl) 3-nitrobenzoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-nitrobenzoate Openeye Name: (2,3,6-trimethylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2,3,6-trimethylphenyl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO4/c1-10-7-8-11(2)15(12(10)3)21-16(18)13-5-4-6-14(9-13)17(19)20/h4-9H,1-3H3