(2-bromanyl-4-methyl-phenyl) 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-nitrobenzoate Openeye Name: (2-bromo-4-methyl-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4-methyl-phenyl) ester Formula: C14H10BrNO4 MolecularWeight: 336.1375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10BrNO4/c1-9-5-6-13(12(15)7-9)20-14(17)10-3-2-4-11(8-10)16(18)19/h2-8H,1H3