1-butyl-3-[1,1,1-tris(chloranyl)-4-(4-nitrophenyl)-4-oxidanylidene-butan-2-yl]urea

Systemtic Name: 1-butyl-3-[1,1,1-tris(chloranyl)-4-(4-nitrophenyl)-4-oxidanylidene-butan-2-yl]urea Openeye Name: 1-butyl-3-[3-(4-nitrophenyl)-3-oxo-1-(trichloromethyl)propyl]urea CAS Name: 1-butyl-3-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea IUPAC Name: 1-butyl-3-[1,1,1-trichloro-4-(4-nitrophenyl)-4-oxobutan-2-yl]urea Traditional Name: 1-butyl-3-[3-keto-3-(4-nitrophenyl)-1-(trichloromethyl)propyl]urea Formula: C15H18Cl3N3O4 MolecularWeight: 410.68012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

Isomeric SMILES

CCCCNC(=O)NC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl

InChI

InChI=1S/C15H18Cl3N3O4/c1-2-3-8-19-14(23)20-13(15(16,17)18)9-12(22)10-4-6-11(7-5-10)21(24)25/h4-7,13H,2-3,8-9H2,1H3,(H2,19,20,23)