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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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