1-[2,3-bis(chloranyl)phenyl]-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]-3-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]urea Openeye Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,3-dichlorophenyl)urea CAS Name: 1-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-3-(2,3-dichlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,3-dichlorophenyl)urea Traditional Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,3-dichlorophenyl)urea Formula: C20H19Cl2N5O3 MolecularWeight: 448.30256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19Cl2N5O3/c1-20(2,3)16-11-17(24-19(28)23-15-6-4-5-14(21)18(15)22)26(25-16)12-7-9-13(10-8-12)27(29)30/h4-11H,1-3H3,(H2,23,24,28)