methyl 3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoate

Systemtic Name: methyl 3-(4-bromanyl-3-nitro-pyrazol-1-yl)propanoate Openeye Name: methyl 3-(4-bromo-3-nitro-pyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-3-nitro-1-pyrazolyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-bromo-3-nitropyrazol-1-yl)propanoate Traditional Name: 3-(4-bromo-3-nitro-pyrazol-1-yl)propionic acid methyl ester Formula: C7H8BrN3O4 MolecularWeight: 278.06012

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br

Isomeric SMILES

COC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br

InChI

InChI=1S/C7H8BrN3O4/c1-15-6(12)2-3-10-4-5(8)7(9-10)11(13)14/h4H,2-3H2,1H3