(4-ethanoylphenyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 3-methyl-4-nitro-benzoate Openeye Name: (4-acetylphenyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (4-acetylphenyl) ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=CC=C(C=C2)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO5/c1-10-9-13(5-8-15(10)17(20)21)16(19)22-14-6-3-12(4-7-14)11(2)18/h3-9H,1-2H3