4-[(S)-(3-methoxy-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-methoxy-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)-(4-hydroxy-3-methoxy-5-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(S)-(4-hydroxy-3-methoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(S)-(4-hydroxy-3-methoxy-5-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(S)-(4-hydroxy-3-methoxy-5-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C16H16N5O6- MolecularWeight: 374.32814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O6/c1-6-11(15(23)19-17-6)13(12-7(2)18-20-16(12)24)8-4-9(21(25)26)14(22)10(5-8)27-3/h4-5,13,22H,1-3H3,(H2,17,19,23)(H2,18,20,24)/p-1