(2-bromanyl-4-cyano-6-methoxy-phenyl) 3-nitrobenzoate

Systemtic Name: (2-bromanyl-4-cyano-6-methoxy-phenyl) 3-nitrobenzoate Openeye Name: (2-bromo-4-cyano-6-methoxy-phenyl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid (2-bromo-4-cyano-6-methoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-methoxyphenyl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-bromo-4-cyano-6-methoxy-phenyl) ester Formula: C15H9BrN2O5 MolecularWeight: 377.14636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H9BrN2O5/c1-22-13-6-9(8-17)5-12(16)14(13)23-15(19)10-3-2-4-11(7-10)18(20)21/h2-7H,1H3