4-(2-bromanyl-4-methyl-phenoxy)-3-nitro-benzoate

Systemtic Name: 4-(2-bromanyl-4-methyl-phenoxy)-3-nitro-benzoate Openeye Name: 4-(2-bromo-4-methyl-phenoxy)-3-nitro-benzoate CAS Name: 4-(2-bromo-4-methylphenoxy)-3-nitrobenzoate IUPAC Name: 4-(2-bromo-4-methylphenoxy)-3-nitrobenzoate Traditional Name: 4-(2-bromo-4-methyl-phenoxy)-3-nitro-benzoate Formula: C14H9BrNO5- MolecularWeight: 351.12896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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