5-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-nitropyrazol-1-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3-nitropyrazol-1-yl)methyl]-2-thenoic acid Formula: C9H7N3O4S MolecularWeight: 253.23458

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1[N+](=O)[O-])CC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CN(N=C1[N+](=O)[O-])CC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C9H7N3O4S/c13-9(14)7-2-1-6(17-7)5-11-4-3-8(10-11)12(15)16/h1-4H,5H2,(H,13,14)