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

Systemtic Name: [2-methyl-4-(3-methylphenyl)phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-methyl-4-(m-tolyl)phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-methyl-4-(3-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(3-methylphenyl)phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-methyl-4-(m-tolyl)phenyl] ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19NO4/c1-14-5-4-6-17(11-14)18-8-10-21(16(3)13-18)27-22(24)19-7-9-20(23(25)26)15(2)12-19/h4-13H,1-3H3