(4S)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]iminomethyl]-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-(4-nitrophenyl)-4-[[(2S)-2-oxidanyl-2-phenyl-ethyl]iminomethyl]-4H-pyrazol-3-one Openeye Name: (4S)-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]iminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one CAS Name: (4S)-4-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one IUPAC Name: (4S)-4-[[(2S)-2-hydroxy-2-phenylethyl]iminomethyl]-5-methyl-2-(4-nitrophenyl)-4H-pyrazol-3-one Traditional Name: (4S)-4-[[(2S)-2-hydroxy-2-phenyl-ethyl]iminomethyl]-5-methyl-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1C=NCC(C2=CC=CC=C2)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=O)[C@H]1C=NC[C@H](C2=CC=CC=C2)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4/c1-13-17(11-20-12-18(24)14-5-3-2-4-6-14)19(25)22(21-13)15-7-9-16(10-8-15)23(26)27/h2-11,17-18,24H,12H2,1H3/t17-,18+/m0/s1