2-(4-bromanylpyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-(4-methyl-3,5-dinitro-phenyl)butyramide Formula: C14H14BrN5O5 MolecularWeight: 412.19546

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-])N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C(=C1)[N+](=O)[O-])C)[N+](=O)[O-])N2C=C(C=N2)Br

InChI

InChI=1S/C14H14BrN5O5/c1-3-11(18-7-9(15)6-16-18)14(21)17-10-4-12(19(22)23)8(2)13(5-10)20(24)25/h4-7,11H,3H2,1-2H3,(H,17,21)