2-(3-bromanyl-4-methyl-2,5-diphenyl-3H-pyrazol-4-yl)ethanoate

Systemtic Name: 2-(3-bromanyl-4-methyl-2,5-diphenyl-3H-pyrazol-4-yl)ethanoate Openeye Name: 2-(3-bromo-4-methyl-2,5-diphenyl-3H-pyrazol-4-yl)acetate CAS Name: 2-(3-bromo-4-methyl-2,5-diphenyl-3H-pyrazol-4-yl)acetate IUPAC Name: 2-(3-bromo-4-methyl-2,5-diphenyl-3H-pyrazol-4-yl)acetate Traditional Name: 2-(5-bromo-4-methyl-1,3-diphenyl-2-pyrazolin-4-yl)acetate Formula: C18H16BrN2O2- MolecularWeight: 372.23584

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)Br)CC(=O)[O-]

Isomeric SMILES

CC1(C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)Br)CC(=O)[O-]

InChI

InChI=1S/C18H17BrN2O2/c1-18(12-15(22)23)16(13-8-4-2-5-9-13)20-21(17(18)19)14-10-6-3-7-11-14/h2-11,17H,12H2,1H3,(H,22,23)/p-1