3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzoate

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzoate Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoate CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzoate IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzoate Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoate Formula: C11H7BrN3O4- MolecularWeight: 325.09498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)[O-]

InChI

InChI=1S/C11H8BrN3O4/c12-9-6-14(13-10(9)15(18)19)5-7-2-1-3-8(4-7)11(16)17/h1-4,6H,5H2,(H,16,17)/p-1