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

Systemtic Name: [2-methyl-4-(3-methylphenyl)phenyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-methyl-4-(m-tolyl)phenyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-methyl-4-(3-methylphenyl)phenyl] ester IUPAC Name: [2-methyl-4-(3-methylphenyl)phenyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-methyl-4-(m-tolyl)phenyl] ester Formula: C21H16BrNO4 MolecularWeight: 426.26004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO4/c1-13-4-3-5-15(10-13)16-7-9-20(14(2)11-16)27-21(24)17-6-8-18(22)19(12-17)23(25)26/h3-12H,1-2H3