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

Systemtic Name: 4-[(R)-(4-chloranyl-3-nitro-phenyl)-(3-methyl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Openeye Name: 4-[(R)-(4-chloro-3-nitro-phenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate CAS Name: 4-[(R)-(4-chloro-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate IUPAC Name: 4-[(R)-(4-chloro-3-nitrophenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Traditional Name: 4-[(R)-(4-chloro-3-nitro-phenyl)-(3-keto-5-methyl-3-pyrazolin-4-yl)methyl]-5-methyl-1H-pyrazol-3-olate Formula: C15H13ClN5O4- MolecularWeight: 362.74782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClN5O4/c1-6-11(14(22)19-17-6)13(12-7(2)18-20-15(12)23)8-3-4-9(16)10(5-8)21(24)25/h3-5,13H,1-2H3,(H2,17,19,22)(H2,18,20,23)/p-1