1-(5-bromanyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-3-(4-methylphenyl)urea

Systemtic Name: 1-(5-bromanyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)-3-(4-methylphenyl)urea Openeye Name: 1-(5-bromo-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-3-(p-tolyl)urea CAS Name: 1-(5-bromo-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-3-(4-methylphenyl)urea IUPAC Name: 1-(5-bromo-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)-3-(4-methylphenyl)urea Traditional Name: 1-(5-bromo-2-keto-5-nitro-1,3,2$l^{5}-dioxaphosphorinan-2-yl)-3-(p-tolyl)urea Formula: C11H13BrN3O6P MolecularWeight: 394.115181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NP2(=O)OCC(CO2)([N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NP2(=O)OCC(CO2)([N+](=O)[O-])Br

InChI

InChI=1S/C11H13BrN3O6P/c1-8-2-4-9(5-3-8)13-10(16)14-22(19)20-6-11(12,7-21-22)15(17)18/h2-5H,6-7H2,1H3,(H2,13,14,16,19)