N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,5-dinitro-N-propan-2-yl-benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3,5-dinitro-N-propan-2-yl-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-N-isopropyl-3,5-dinitro-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3,5-dinitro-N-propan-2-ylbenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dinitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3,5-dinitro-benzamide Formula: C21H21N5O6 MolecularWeight: 439.42134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C(C)C)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6/c1-13(2)23(20(27)15-10-17(25(29)30)12-18(11-15)26(31)32)19-14(3)22(4)24(21(19)28)16-8-6-5-7-9-16/h5-13H,1-4H3