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

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylate Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-methyl-3-pyrazolecarboxylate IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-methylpyrazole-3-carboxylate Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-methyl-pyrazole-3-carboxylate Formula: C14H12N3O5- MolecularWeight: 302.26218

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)[O-]

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2)OCCO3)C(=O)[O-]

InChI

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