diethyl 5-(3-ethoxycarbonyl-4-oxidanyl-pyrazol-1-yl)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(3-ethoxycarbonyl-4-oxidanyl-pyrazol-1-yl)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-(3-ethoxycarbonyl-4-hydroxy-pyrazol-1-yl)benzene-1,3-dicarboxylate CAS Name: 5-(3-ethoxycarbonyl-4-hydroxy-1-pyrazolyl)benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(3-ethoxycarbonyl-4-hydroxypyrazol-1-yl)benzene-1,3-dicarboxylate Traditional Name: 5-(3-carbethoxy-4-hydroxy-pyrazol-1-yl)benzene-1,3-dicarboxylic acid diethyl ester Formula: C18H20N2O7 MolecularWeight: 376.3606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C(=O)OCC)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)N2C=C(C(=N2)C(=O)OCC)O)C(=O)OCC

InChI

InChI=1S/C18H20N2O7/c1-4-25-16(22)11-7-12(17(23)26-5-2)9-13(8-11)20-10-14(21)15(19-20)18(24)27-6-3/h7-10,21H,4-6H2,1-3H3