[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzoate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloranyl-3-nitro-benzoate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-tert-butyl-2-(3-chlorophenyl)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)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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