5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxylate

Systemtic Name: 5-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxylate Openeye Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]furan-2-carboxylate CAS Name: 5-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-2-furancarboxylate IUPAC Name: 5-[(4-bromo-3-nitropyrazol-1-yl)methyl]furan-2-carboxylate Traditional Name: 5-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-2-furoate Formula: C9H5BrN3O5- MolecularWeight: 315.0571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6BrN3O5/c10-6-4-12(11-8(6)13(16)17)3-5-1-2-7(18-5)9(14)15/h1-2,4H,3H2,(H,14,15)/p-1