(2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-methyl-3-nitro-benzoate

Systemtic Name: (2-phenyl-5-propan-2-yl-pyrazol-3-yl) 4-methyl-3-nitro-benzoate Openeye Name: (5-isopropyl-2-phenyl-pyrazol-3-yl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-phenyl-5-propan-2-yl-3-pyrazolyl) ester IUPAC Name: (2-phenyl-5-propan-2-ylpyrazol-3-yl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (5-isopropyl-2-phenyl-pyrazol-3-yl) ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC(=NN2C3=CC=CC=C3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-13(2)17-12-19(22(21-17)16-7-5-4-6-8-16)27-20(24)15-10-9-14(3)18(11-15)23(25)26/h4-13H,1-3H3