(4,5-dimethyl-2-nitro-phenyl) benzoate

Systemtic Name: (4,5-dimethyl-2-nitro-phenyl) benzoate Openeye Name: (4,5-dimethyl-2-nitro-phenyl) benzoate CAS Name: benzoic acid (4,5-dimethyl-2-nitrophenyl) ester IUPAC Name: (4,5-dimethyl-2-nitrophenyl) benzoate Traditional Name: benzoic acid (4,5-dimethyl-2-nitro-phenyl) ester Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1C)OC(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

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