(3,5-dimethylphenyl) 4-nitrobenzoate

Systemtic Name: (3,5-dimethylphenyl) 4-nitrobenzoate Openeye Name: (3,5-dimethylphenyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (3,5-dimethylphenyl) ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13NO4/c1-10-7-11(2)9-14(8-10)20-15(17)12-3-5-13(6-4-12)16(18)19/h3-9H,1-2H3