3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid

Systemtic Name: 3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid Openeye Name: 3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid CAS Name: 3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid IUPAC Name: 3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid Traditional Name: 3-[bis(1,3-benzodioxol-4-yl)methylamino]-1H-pyrazole-5-carboxylic acid Formula: C19H15N3O6 MolecularWeight: 381.3389

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C(C3=C4C(=CC=C3)OCO4)NC5=NNC(=C5)C(=O)O

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C(C3=C4C(=CC=C3)OCO4)NC5=NNC(=C5)C(=O)O

InChI

InChI=1S/C19H15N3O6/c23-19(24)12-7-15(22-21-12)20-16(10-3-1-5-13-17(10)27-8-25-13)11-4-2-6-14-18(11)28-9-26-14/h1-7,16H,8-9H2,(H,23,24)(H2,20,21,22)