1-[2-[(2-cyano-3-fluoranyl-phenyl)amino]ethyl]-3-(4-methoxy-2-nitro-phenyl)urea

Systemtic Name: 1-[2-[(2-cyano-3-fluoranyl-phenyl)amino]ethyl]-3-(4-methoxy-2-nitro-phenyl)urea Openeye Name: 1-[2-(2-cyano-3-fluoro-anilino)ethyl]-3-(4-methoxy-2-nitro-phenyl)urea CAS Name: 1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-(4-methoxy-2-nitrophenyl)urea IUPAC Name: 1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-(4-methoxy-2-nitrophenyl)urea Traditional Name: 1-[2-(2-cyano-3-fluoro-anilino)ethyl]-3-(4-methoxy-2-nitro-phenyl)urea Formula: C17H16FN5O4 MolecularWeight: 373.338443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)NCCNC2=C(C(=CC=C2)F)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)NCCNC2=C(C(=CC=C2)F)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H16FN5O4/c1-27-11-5-6-15(16(9-11)23(25)26)22-17(24)21-8-7-20-14-4-2-3-13(18)12(14)10-19/h2-6,9,20H,7-8H2,1H3,(H2,21,22,24)