[4-(phenylcarbonyl)phenyl] 3-methyl-2-nitro-benzoate

Systemtic Name: [4-(phenylcarbonyl)phenyl] 3-methyl-2-nitro-benzoate Openeye Name: (4-benzoylphenyl) 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid (4-benzoylphenyl) ester IUPAC Name: (4-benzoylphenyl) 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid (4-benzoylphenyl) ester Formula: C21H15NO5 MolecularWeight: 361.3475

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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)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OC2=CC=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H15NO5/c1-14-6-5-9-18(19(14)22(25)26)21(24)27-17-12-10-16(11-13-17)20(23)15-7-3-2-4-8-15/h2-13H,1H3