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

Systemtic Name: (4S)-4-(3,5-dinitrophenyl)carbonyl-5-methyl-2-phenyl-4H-pyrazol-3-one Openeye Name: (4S)-4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one CAS Name: (4S)-4-[(3,5-dinitrophenyl)-oxomethyl]-5-methyl-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4S)-4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one Traditional Name: (4S)-4-(3,5-dinitrobenzoyl)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C17H12N4O6 MolecularWeight: 368.30038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O6/c1-10-15(17(23)19(18-10)12-5-3-2-4-6-12)16(22)11-7-13(20(24)25)9-14(8-11)21(26)27/h2-9,15H,1H3/t15-/m0/s1