5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(p-tolyl)pyrazole-3-carboxylic acid CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(p-tolyl)pyrazole-3-carboxylic acid Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=N2)C(=O)O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H16N2O4/c1-12-2-5-14(6-3-12)21-16(11-15(20-21)19(22)23)13-4-7-17-18(10-13)25-9-8-24-17/h2-7,10-11H,8-9H2,1H3,(H,22,23)