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

Systemtic Name: 4-[(S)-(3-ethoxy-4-methoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-ethoxy-4-methoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-ethoxy-4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-ethoxy-4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-ethoxy-4-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C18H21N4O4- MolecularWeight: 357.38374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O4/c1-5-26-13-8-11(6-7-12(13)25-4)16(14-9(2)19-21-17(14)23)15-10(3)20-22-18(15)24/h6-8,16H,5H2,1-4H3,(H2,19,21,23)(H2,20,22,24)/p-1