(4S)-5-methyl-2-(4-nitrophenyl)-4-(prop-2-enyliminomethyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(prop-2-enyliminomethyl)-4H-pyrazol-3-one Openeye Name: (4S)-4-(allyliminomethyl)-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(prop-2-enyliminomethyl)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-(prop-2-enyliminomethyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-(allyliminomethyl)-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C14H14N4O3 MolecularWeight: 286.28596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N4O3/c1-3-8-15-9-13-10(2)16-17(14(13)19)11-4-6-12(7-5-11)18(20)21/h3-7,9,13H,1,8H2,2H3/t13-/m0/s1