sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione

Systemtic Name: sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione Openeye Name: sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-dione CAS Name: sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione IUPAC Name: sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenylpyrazolo[4,3-c]pyridin-1-ide-3,6-dione Traditional Name: sodium 5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methyl-2-phenyl-pyrazolo[4,3-c]pyridin-1-ide-3,6-quinone Formula: C22H18N3NaO4 MolecularWeight: 411.38579

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=O)N1CC3=CC4=C(C=C3)OCCO4)[N-]N(C2=O)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=O)N1CC3=CC4=C(C=C3)OCCO4)[N-]N(C2=O)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C22H19N3O4.Na/c1-14-21-17(23-25(22(21)27)16-5-3-2-4-6-16)12-20(26)24(14)13-15-7-8-18-19(11-15)29-10-9-28-18;/h2-8,11-12H,9-10,13H2,1H3,(H,23,26);/q;+1/p-1