(E)-tert-butyl-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methylidene]azanium

Systemtic Name: (E)-tert-butyl-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxidanylidene-4H-pyrazol-4-yl]methylidene]azanium Openeye Name: (E)-tert-butyl-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methylene]ammonium CAS Name: (E)-tert-butyl-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methylidene]ammonium IUPAC Name: (E)-tert-butyl-[[(4S)-3-methyl-1-(4-nitrophenyl)-5-oxo-4H-pyrazol-4-yl]methylidene]azanium Traditional Name: (E)-tert-butyl-[[(4S)-5-keto-3-methyl-1-(4-nitrophenyl)-2-pyrazolin-4-yl]methylene]ammonium Formula: C15H19N4O3+ MolecularWeight: 303.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=[NH+]C(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1/C=[NH+]/C(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3/c1-10-13(9-16-15(2,3)4)14(20)18(17-10)11-5-7-12(8-6-11)19(21)22/h5-9,13H,1-4H3/p+1/b16-9+/t13-/m0/s1