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

Systemtic Name: 4-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]benzoic acid Openeye Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoic acid CAS Name: 4-[(4-bromo-3-nitro-1-pyrazolyl)methyl]benzoic acid IUPAC Name: 4-[(4-bromo-3-nitropyrazol-1-yl)methyl]benzoic acid Traditional Name: 4-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]benzoic acid Formula: C11H8BrN3O4 MolecularWeight: 326.10292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)[N+](=O)[O-])Br)C(=O)O

InChI

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