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

Systemtic Name: 4-[(S)-(2,4-dimethoxy-5-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(S)-(2,4-dimethoxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(2,4-dimethoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(2,4-dimethoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(2,4-dimethoxy-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:

CC1=C(C(=O)NN1)C(C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])C3=C(NN=C3[O-])C

Isomeric SMILES

CC1=C(C(=O)NN1)[C@@H](C2=CC(=C(C=C2OC)OC)[N+](=O)[O-])C3=C(NN=C3[O-])C

InChI

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