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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NN(C2=O)C3=CC=CC=C3)C=C(N1CC4=CC5=C(C=C4)OCCO5)[O-].[Na+]

Isomeric SMILES

CC1=C2C(=NN(C2=O)C3=CC=CC=C3)C=C(N1CC4=CC5=C(C=C4)OCCO5)[O-].[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;/h2-8,11-12,26H,9-10,13H2,1H3;/q;+1/p-1