(4S)-5-methyl-4-(4-nitrophenyl)carbonyl-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-4-(4-nitrophenyl)carbonyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-4-(4-nitrobenzoyl)-2-phenyl-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-4-[(4-nitrophenyl)-oxomethyl]-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-4-(4-nitrobenzoyl)-2-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-4-(4-nitrobenzoyl)-2-phenyl-2-pyrazolin-3-one Formula: C17H13N3O4 MolecularWeight: 323.30282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O4/c1-11-15(16(21)12-7-9-14(10-8-12)20(23)24)17(22)19(18-11)13-5-3-2-4-6-13/h2-10,15H,1H3/t15-/m0/s1