ethyl 5-[(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-1H-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(4,5-dimethoxy-3-oxidanylidene-1H-2-benzofuran-1-yl)amino]-1H-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]-1H-pyrazole-4-carboxylate CAS Name: 5-[(4,5-dimethoxy-3-oxo-1H-isobenzofuran-1-yl)amino]-1H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1H-pyrazole-4-carboxylate Traditional Name: 5-[(3-keto-4,5-dimethoxy-phthalan-1-yl)amino]-1H-pyrazole-4-carboxylic acid ethyl ester Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NN=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

Isomeric SMILES

CCOC(=O)C1=C(NN=C1)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2

InChI

InChI=1S/C16H17N3O6/c1-4-24-15(20)9-7-17-19-13(9)18-14-8-5-6-10(22-2)12(23-3)11(8)16(21)25-14/h5-7,14H,4H2,1-3H3,(H2,17,18,19)