1-(1,3-benzodioxol-5-yloxymethyl)-4-nitro-pyrazole-3-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-nitro-pyrazole-3-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-nitro-pyrazole-3-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-nitro-3-pyrazolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-nitropyrazole-3-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yloxymethyl)-4-nitro-pyrazole-3-carboxylic acid Formula: C12H9N3O7 MolecularWeight: 307.21576

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCN3C=C(C(=N3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCN3C=C(C(=N3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H9N3O7/c16-12(17)11-8(15(18)19)4-14(13-11)5-20-7-1-2-9-10(3-7)22-6-21-9/h1-4H,5-6H2,(H,16,17)