[2-methyl-4-(3-methylphenyl)phenyl] 3-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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