4-bromanyl-3,5-dimethyl-1-(2,4,6-trinitrophenyl)pyrazole

Systemtic Name: 4-bromanyl-3,5-dimethyl-1-(2,4,6-trinitrophenyl)pyrazole Openeye Name: 4-bromo-3,5-dimethyl-1-(2,4,6-trinitrophenyl)pyrazole CAS Name: 4-bromo-3,5-dimethyl-1-(2,4,6-trinitrophenyl)pyrazole IUPAC Name: 4-bromo-3,5-dimethyl-1-(2,4,6-trinitrophenyl)pyrazole Traditional Name: 4-bromo-3,5-dimethyl-1-picryl-pyrazole Formula: C11H8BrN5O6 MolecularWeight: 386.11512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)Br

Isomeric SMILES

CC1=C(C(=NN1C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])C)Br

InChI

InChI=1S/C11H8BrN5O6/c1-5-10(12)6(2)14(13-5)11-8(16(20)21)3-7(15(18)19)4-9(11)17(22)23/h3-4H,1-2H3