3-[1-(4-butoxy-5-methoxy-2-nitro-phenyl)ethoxy-methyl-phosphanyl]oxypropanenitrile

Systemtic Name: 3-[1-(4-butoxy-5-methoxy-2-nitro-phenyl)ethoxy-methyl-phosphanyl]oxypropanenitrile Openeye Name: 3-[1-(4-butoxy-5-methoxy-2-nitro-phenyl)ethoxy-methyl-phosphanyl]oxypropanenitrile CAS Name: 3-[1-(4-butoxy-5-methoxy-2-nitrophenyl)ethoxy-methylphosphino]oxypropanenitrile IUPAC Name: 3-[1-(4-butoxy-5-methoxy-2-nitrophenyl)ethoxy-methylphosphanyl]oxypropanenitrile Traditional Name: 3-[1-(4-butoxy-5-methoxy-2-nitro-phenyl)ethoxy-methyl-phosphino]oxypropionitrile Formula: C17H25N2O6P MolecularWeight: 384.363961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)OP(C)OCCC#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(C)OP(C)OCCC#N)OC

InChI

InChI=1S/C17H25N2O6P/c1-5-6-9-23-17-12-15(19(20)21)14(11-16(17)22-3)13(2)25-26(4)24-10-7-8-18/h11-13H,5-7,9-10H2,1-4H3