(4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Openeye Name: (4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(tert-butyliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NC(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/t13-/m0/s1