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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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