5-(2-bromanyl-4-methyl-phenoxy)-2-nitro-benzoate

Systemtic Name: 5-(2-bromanyl-4-methyl-phenoxy)-2-nitro-benzoate Openeye Name: 5-(2-bromo-4-methyl-phenoxy)-2-nitro-benzoate CAS Name: 5-(2-bromo-4-methylphenoxy)-2-nitrobenzoate IUPAC Name: 5-(2-bromo-4-methylphenoxy)-2-nitrobenzoate Traditional Name: 5-(2-bromo-4-methyl-phenoxy)-2-nitro-benzoate Formula: C14H9BrNO5- MolecularWeight: 351.12896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)[O-])Br

InChI

InChI=1S/C14H10BrNO5/c1-8-2-5-13(11(15)6-8)21-9-3-4-12(16(19)20)10(7-9)14(17)18/h2-7H,1H3,(H,17,18)/p-1