5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-1-methyl-4-pyrazolecarboxylic acid IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1-methylpyrazole-4-carboxylic acid Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-1-methyl-pyrazole-4-carboxylic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN1C(=C(C=N1)C(=O)O)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C14H13N3O5/c1-17-12(9(7-15-17)14(19)20)13(18)16-8-2-3-10-11(6-8)22-5-4-21-10/h2-3,6-7H,4-5H2,1H3,(H,16,18)(H,19,20)