[5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 3-nitrobenzoate

Systemtic Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 3-nitrobenzoate Openeye Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [5-tert-butyl-2-(3-chlorophenyl)-3-pyrazolyl] ester IUPAC Name: [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-tert-butyl-2-(3-chlorophenyl)pyrazol-3-yl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O4/c1-20(2,3)17-12-18(23(22-17)15-8-5-7-14(21)11-15)28-19(25)13-6-4-9-16(10-13)24(26)27/h4-12H,1-3H3