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

Systemtic Name: 4-[(R)-(5-chloranyl-2-ethoxy-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(5-chloro-2-ethoxy-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(5-chloro-2-ethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(5-chloro-2-ethoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(5-chloro-2-ethoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C17H18ClN4O3- MolecularWeight: 361.80282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19ClN4O3/c1-4-25-12-6-5-10(18)7-11(12)15(13-8(2)19-21-16(13)23)14-9(3)20-22-17(14)24/h5-7,15H,4H2,1-3H3,(H2,19,21,23)(H2,20,22,24)/p-1