1-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[4-bromanyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[4-bromo-1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]-3-pyrazolyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[4-bromo-1-(2-chloro-6-fluoro-benzyl)pyrazol-3-yl]-3-(3-nitrophenyl)urea Formula: C17H12BrClFN5O3 MolecularWeight: 468.664283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=NN(C=C2Br)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C17H12BrClFN5O3/c18-13-9-24(8-12-14(19)5-2-6-15(12)20)23-16(13)22-17(26)21-10-3-1-4-11(7-10)25(27)28/h1-7,9H,8H2,(H2,21,22,23,26)