4-[(S)-(3,4-diethoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate

Systemtic Name: 4-[(S)-(3,4-diethoxyphenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3,4-diethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3,4-diethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3,4-diethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3,4-diethoxyphenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C19H23N4O4- MolecularWeight: 371.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C)OCC

InChI

InChI=1S/C19H24N4O4/c1-5-26-13-8-7-12(9-14(13)27-6-2)17(15-10(3)20-22-18(15)24)16-11(4)21-23-19(16)25/h7-9,17H,5-6H2,1-4H3,(H2,20,22,24)(H2,21,23,25)/p-1