3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxylic acid

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxylic acid Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-carboxylic acid CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furancarboxylic acid IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]furan-2-carboxylic acid Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-furoic acid Formula: C11H11N3O5 MolecularWeight: 265.22214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(OC=C2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(OC=C2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O5/c1-6-9(14(17)18)7(2)13(12-6)5-8-3-4-19-10(8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)