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

Systemtic Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-2-thenoic acid Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(S2)C(=O)O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(S2)C(=O)O)C)[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4S/c1-6-10(14(17)18)7(2)13(12-6)5-8-3-4-9(19-8)11(15)16/h3-4H,5H2,1-2H3,(H,15,16)