[(3S)-3-methyl-3-oxidanyl-5-phenyl-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone

Systemtic Name: [(3S)-3-methyl-3-oxidanyl-5-phenyl-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone Openeye Name: [(3S)-3-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone CAS Name: [(3S)-3-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone IUPAC Name: [(3S)-3-hydroxy-3-methyl-5-phenyl-1H-pyrazol-2-yl]-(2-nitrophenyl)methanone Traditional Name: [(5S)-5-hydroxy-5-methyl-3-phenyl-3-pyrazolin-1-yl]-(2-nitrophenyl)methanone Formula: C17H15N3O4 MolecularWeight: 325.3187

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)O

Isomeric SMILES

C[C@@]1(C=C(NN1C(=O)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)O

InChI

InChI=1S/C17H15N3O4/c1-17(22)11-14(12-7-3-2-4-8-12)18-19(17)16(21)13-9-5-6-10-15(13)20(23)24/h2-11,18,22H,1H3/t17-/m0/s1