methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate

Systemtic Name: methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate Openeye Name: methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylate CAS Name: 5-[[(6-cyano-1,3-benzodioxol-5-yl)amino]-oxomethyl]-2-methyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methylpyrazole-3-carboxylate Traditional Name: 5-[(6-cyano-1,3-benzodioxol-5-yl)carbamoyl]-2-methyl-pyrazole-3-carboxylic acid methyl ester Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)C(=O)OC

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NC2=CC3=C(C=C2C#N)OCO3)C(=O)OC

InChI

InChI=1S/C15H12N4O5/c1-19-11(15(21)22-2)4-10(18-19)14(20)17-9-5-13-12(23-7-24-13)3-8(9)6-16/h3-5H,7H2,1-2H3,(H,17,20)