[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,4-bis(chloranyl)benzoate Openeye Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl] ester Formula: C20H17Cl2N3O4 MolecularWeight: 434.27268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O4/c1-20(2,3)17-11-18(29-19(26)12-4-9-15(21)16(22)10-12)24(23-17)13-5-7-14(8-6-13)25(27)28/h4-11H,1-3H3