3-(4-fluoranyl-2-nitro-phenyl)-1-heptyl-1-methyl-urea

Systemtic Name: 3-(4-fluoranyl-2-nitro-phenyl)-1-heptyl-1-methyl-urea Openeye Name: 3-(4-fluoro-2-nitro-phenyl)-1-heptyl-1-methyl-urea CAS Name: 3-(4-fluoro-2-nitrophenyl)-1-heptyl-1-methylurea IUPAC Name: 3-(4-fluoro-2-nitrophenyl)-1-heptyl-1-methylurea Traditional Name: 3-(4-fluoro-2-nitro-phenyl)-1-heptyl-1-methyl-urea Formula: C15H22FN3O3 MolecularWeight: 311.351883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN(C)C(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCN(C)C(=O)NC1=C(C=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C15H22FN3O3/c1-3-4-5-6-7-10-18(2)15(20)17-13-9-8-12(16)11-14(13)19(21)22/h8-9,11H,3-7,10H2,1-2H3,(H,17,20)