4-bromanyl-N-methyl-N-[(4-methylphenoxy)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]butan-1-amine

Systemtic Name: 4-bromanyl-N-methyl-N-[(4-methylphenoxy)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]butan-1-amine Openeye Name: 4-bromo-N-methyl-N-[(4-methylphenoxy)-[(5-nitro-2-furyl)methoxy]phosphoryl]butan-1-amine CAS Name: 4-bromo-N-methyl-N-[(4-methylphenoxy)-[(5-nitro-2-furanyl)methoxy]phosphoryl]-1-butanamine IUPAC Name: 4-bromo-N-methyl-N-[(4-methylphenoxy)-[(5-nitrofuran-2-yl)methoxy]phosphoryl]butan-1-amine Traditional Name: 4-bromobutyl-methyl-[(4-methylphenoxy)-[(5-nitro-2-furyl)methoxy]phosphoryl]amine Formula: C17H22BrN2O6P MolecularWeight: 461.244141

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OP(=O)(N(C)CCCCBr)OCC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OP(=O)(N(C)CCCCBr)OCC2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C17H22BrN2O6P/c1-14-5-7-15(8-6-14)26-27(23,19(2)12-4-3-11-18)24-13-16-9-10-17(25-16)20(21)22/h5-10H,3-4,11-13H2,1-2H3