pyridin-2-ylmethyl 4-bromanyl-3-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 4-bromanyl-3-nitro-benzoate Openeye Name: 2-pyridylmethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 2-pyridylmethyl ester Formula: C13H9BrN2O4 MolecularWeight: 337.12556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H9BrN2O4/c14-11-5-4-9(7-12(11)16(18)19)13(17)20-8-10-3-1-2-6-15-10/h1-7H,8H2