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

Systemtic Name: 1-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea Openeye Name: 1-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea CAS Name: 1-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-3-(3-nitrophenyl)urea IUPAC Name: 1-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-nitrophenyl)urea Traditional Name: 1-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]-3-(3-nitrophenyl)urea Formula: C17H13ClFN5O3 MolecularWeight: 389.768223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CN(N=C2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H13ClFN5O3/c18-16-6-12(19)5-4-11(16)9-23-10-14(8-20-23)22-17(25)21-13-2-1-3-15(7-13)24(26)27/h1-8,10H,9H2,(H2,21,22,25)