(2,5-dimethylphenyl) 3-nitrobenzoate

Systemtic Name: (2,5-dimethylphenyl) 3-nitrobenzoate Openeye Name: (2,5-dimethylphenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2,5-dimethylphenyl) ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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