3-[(4-nitropyrazol-1-yl)methyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 3-[(4-nitropyrazol-1-yl)methyl]benzothiophene-2-carboxylic acid CAS Name: 3-[(4-nitro-1-pyrazolyl)methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 3-[(4-nitropyrazol-1-yl)methyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 3-[(4-nitropyrazol-1-yl)methyl]benzothiophene-2-carboxylic acid Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-13(18)12-10(9-3-1-2-4-11(9)21-12)7-15-6-8(5-14-15)16(19)20/h1-6H,7H2,(H,17,18)