methyl 4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-diethoxyphosphoryl-3,4-bis(oxidanylidene)butanoate

Systemtic Name: methyl 4-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-2-diethoxyphosphoryl-3,4-bis(oxidanylidene)butanoate Openeye Name: methyl 4-(4-bromo-2,6-dimethyl-anilino)-2-diethoxyphosphoryl-3,4-dioxo-butanoate CAS Name: 4-(4-bromo-2,6-dimethylanilino)-2-diethoxyphosphoryl-3,4-dioxobutanoic acid methyl ester IUPAC Name: methyl 4-(4-bromo-2,6-dimethylanilino)-2-diethoxyphosphoryl-3,4-dioxobutanoate Traditional Name: 4-(4-bromo-2,6-dimethyl-anilino)-2-diethoxyphosphoryl-3,4-diketo-butyric acid methyl ester Formula: C17H23BrNO7P MolecularWeight: 464.244781

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1C)Br)C)C(=O)OC)OCC

Isomeric SMILES

CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1C)Br)C)C(=O)OC)OCC

InChI

InChI=1S/C17H23BrNO7P/c1-6-25-27(23,26-7-2)15(17(22)24-5)14(20)16(21)19-13-10(3)8-12(18)9-11(13)4/h8-9,15H,6-7H2,1-5H3,(H,19,21)