[bis(acetyloxymethoxy)phosphoryl-[5-(4-bromanylphenoxy)-2-nitro-phenyl]methoxy]methyl ethanoate

Systemtic Name: [bis(acetyloxymethoxy)phosphoryl-[5-(4-bromanylphenoxy)-2-nitro-phenyl]methoxy]methyl ethanoate Openeye Name: [bis(acetoxymethoxy)phosphoryl-[5-(4-bromophenoxy)-2-nitro-phenyl]methoxy]methyl acetate CAS Name: acetic acid [bis(acetyloxymethoxy)phosphoryl-[5-(4-bromophenoxy)-2-nitrophenyl]methoxy]methyl ester IUPAC Name: [bis(acetyloxymethoxy)phosphoryl-[5-(4-bromophenoxy)-2-nitrophenyl]methoxy]methyl acetate Traditional Name: acetic acid [bis(acetoxymethoxy)phosphoryl-[5-(4-bromophenoxy)-2-nitro-phenyl]methoxy]methyl ester Formula: C22H23BrNO13P MolecularWeight: 620.294681

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCOC(C1=C(C=CC(=C1)OC2=CC=C(C=C2)Br)[N+](=O)[O-])P(=O)(OCOC(=O)C)OCOC(=O)C

Isomeric SMILES

CC(=O)OCOC(C1=C(C=CC(=C1)OC2=CC=C(C=C2)Br)[N+](=O)[O-])P(=O)(OCOC(=O)C)OCOC(=O)C

InChI

InChI=1S/C22H23BrNO13P/c1-14(25)31-11-34-22(38(30,35-12-32-15(2)26)36-13-33-16(3)27)20-10-19(8-9-21(20)24(28)29)37-18-6-4-17(23)5-7-18/h4-10,22H,11-13H2,1-3H3