1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea

Systemtic Name: 1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Openeye Name: 1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea CAS Name: 1-[5-tert-butyl-2-(3-nitrophenyl)-3-pyrazolyl]-3-(4-chlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Traditional Name: 1-[5-tert-butyl-2-(3-nitrophenyl)pyrazol-3-yl]-3-(4-chlorophenyl)urea Formula: C20H20ClN5O3 MolecularWeight: 413.8575

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O3/c1-20(2,3)17-12-18(23-19(27)22-14-9-7-13(21)8-10-14)25(24-17)15-5-4-6-16(11-15)26(28)29/h4-12H,1-3H3,(H2,22,23,27)