2-(3,4-dinitropyrazol-1-yl)-1-phenyl-ethanone

Systemtic Name: 2-(3,4-dinitropyrazol-1-yl)-1-phenyl-ethanone Openeye Name: 2-(3,4-dinitropyrazol-1-yl)-1-phenyl-ethanone CAS Name: 2-(3,4-dinitro-1-pyrazolyl)-1-phenylethanone IUPAC Name: 2-(3,4-dinitropyrazol-1-yl)-1-phenylethanone Traditional Name: 2-(3,4-dinitropyrazol-1-yl)-1-phenyl-ethanone Formula: C11H8N4O5 MolecularWeight: 276.20502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CN2C=C(C(=N2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H8N4O5/c16-10(8-4-2-1-3-5-8)7-13-6-9(14(17)18)11(12-13)15(19)20/h1-6H,7H2