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

Systemtic Name: 4-[(S)-(3-ethoxy-5-nitro-4-oxidanyl-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(3-ethoxy-4-hydroxy-5-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C17H18N5O6- MolecularWeight: 388.35472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C(C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

Isomeric SMILES

CCOC1=CC(=CC(=C1O)[N+](=O)[O-])[C@H](C2=C(NNC2=O)C)C3=C(NN=C3[O-])C

InChI

InChI=1S/C17H19N5O6/c1-4-28-11-6-9(5-10(15(11)23)22(26)27)14(12-7(2)18-20-16(12)24)13-8(3)19-21-17(13)25/h5-6,14,23H,4H2,1-3H3,(H2,18,20,24)(H2,19,21,25)/p-1