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

Systemtic Name: 4-[(S)-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-chloro-5-ethoxy-4-propargyloxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C20H20ClN4O4- MolecularWeight: 415.8502

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)Cl)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4/c1-5-7-29-18-13(21)8-12(9-14(18)28-6-2)17(15-10(3)22-24-19(15)26)16-11(4)23-25-20(16)27/h1,8-9,17H,6-7H2,2-4H3,(H2,22,24,26)(H2,23,25,27)/p-1