4-[6-bromanyl-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-3,5-dimethyl-1H-pyrazole

Systemtic Name: 4-[6-bromanyl-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-3,5-dimethyl-1H-pyrazole Openeye Name: 4-[6-bromo-3-nitro-2-(trichloromethyl)chroman-4-yl]-3,5-dimethyl-1H-pyrazole CAS Name: 4-[6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-dimethyl-1H-pyrazole IUPAC Name: 4-[6-bromo-3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-3,5-dimethyl-1H-pyrazole Traditional Name: 4-[6-bromo-3-nitro-2-(trichloromethyl)chroman-4-yl]-3,5-dimethyl-1H-pyrazole Formula: C15H13BrCl3N3O3 MolecularWeight: 469.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C2C(C(OC3=C2C=C(C=C3)Br)C(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)C2C(C(OC3=C2C=C(C=C3)Br)C(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H13BrCl3N3O3/c1-6-11(7(2)21-20-6)12-9-5-8(16)3-4-10(9)25-14(15(17,18)19)13(12)22(23)24/h3-5,12-14H,1-2H3,(H,20,21)