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

Systemtic Name: [4-(4-methylphenyl)phenyl] 2-methyl-3-nitro-benzoate Openeye Name: [4-(p-tolyl)phenyl] 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid [4-(4-methylphenyl)phenyl] ester IUPAC Name: [4-(4-methylphenyl)phenyl] 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid [4-(p-tolyl)phenyl] ester Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO4/c1-14-6-8-16(9-7-14)17-10-12-18(13-11-17)26-21(23)19-4-3-5-20(15(19)2)22(24)25/h3-13H,1-2H3