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

Systemtic Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,4-dichlorophenyl)urea Openeye Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,4-dichlorophenyl)urea CAS Name: 1-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-3-(2,4-dichlorophenyl)urea IUPAC Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,4-dichlorophenyl)urea Traditional Name: 1-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(2,4-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=C(C=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=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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