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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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