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

Systemtic Name: 1-(2-bromophenyl)-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea Openeye Name: 1-(2-bromophenyl)-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea CAS Name: 1-(2-bromophenyl)-3-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]urea IUPAC Name: 1-(2-bromophenyl)-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea Traditional Name: 1-(2-bromophenyl)-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea Formula: C20H20BrN5O3 MolecularWeight: 458.3085

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=CC=C2Br)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O3/c1-20(2,3)17-12-18(23-19(27)22-16-7-5-4-6-15(16)21)25(24-17)13-8-10-14(11-9-13)26(28)29/h4-12H,1-3H3,(H2,22,23,27)