ethyl 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-oxidanyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-hydroxy-pyrazole-3-carboxylate CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-hydroxy-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-hydroxypyrazole-3-carboxylate Traditional Name: 4-hydroxy-1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)pyrazole-3-carboxylic acid ethyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=NN(C=C1O)C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C17H18N4O4/c1-4-25-17(24)14-13(22)10-20(18-14)15-11(2)19(3)21(16(15)23)12-8-6-5-7-9-12/h5-10,22H,4H2,1-3H3