4-[(S)-(3-bromanyl-5-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-bromanyl-5-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-bromo-5-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-bromo-5-ethoxy-4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-bromo-5-ethoxy-4-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-bromo-5-ethoxy-4-methoxy-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C18H20BrN4O4- MolecularWeight: 436.2798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN4O4/c1-5-27-12-7-10(6-11(19)16(12)26-4)15(13-8(2)20-22-17(13)24)14-9(3)21-23-18(14)25/h6-7,15H,5H2,1-4H3,(H2,20,22,24)(H2,21,23,25)/p-1