(4-ethanoylphenyl) 3-methyl-2-nitro-benzoate

Systemtic Name: (4-ethanoylphenyl) 3-methyl-2-nitro-benzoate Openeye Name: (4-acetylphenyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-acetylphenyl) ester Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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