[2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3-bromanylbenzoate

Systemtic Name: [2-(4-nitrophenyl)-5-propan-2-yl-pyrazol-3-yl] 3-bromanylbenzoate Openeye Name: [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(4-nitrophenyl)-5-propan-2-yl-3-pyrazolyl] ester IUPAC Name: [2-(4-nitrophenyl)-5-propan-2-ylpyrazol-3-yl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [5-isopropyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C19H16BrN3O4 MolecularWeight: 430.25204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN(C(=C1)OC(=O)C2=CC(=CC=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O4/c1-12(2)17-11-18(27-19(24)13-4-3-5-14(20)10-13)22(21-17)15-6-8-16(9-7-15)23(25)26/h3-12H,1-2H3