O1-ethyl O4-methyl 2-diethoxyphosphoryl-2-methyl-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]butanedioate

Systemtic Name: O1-ethyl O4-methyl 2-diethoxyphosphoryl-2-methyl-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]butanedioate Openeye Name: O1-ethyl O4-methyl 2-diethoxyphosphoryl-2-methyl-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]butanedioate CAS Name: 3-[(1E)-1-[[anilino(oxo)methyl]hydrazinylidene]ethyl]-2-diethoxyphosphoryl-2-methylbutanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 2-diethoxyphosphoryl-2-methyl-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]butanedioate Traditional Name: 2-diethoxyphosphoryl-2-methyl-3-[(E)-C-methyl-N-(phenylcarbamoylamino)carbonimidoyl]succinic acid O1-ethyl ester O4-methyl ester Formula: C21H32N3O8P MolecularWeight: 485.467841

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(C(=NNC(=O)NC1=CC=CC=C1)C)C(=O)OC)P(=O)(OCC)OCC

Isomeric SMILES

CCOC(=O)C(C)(C(/C(=N/NC(=O)NC1=CC=CC=C1)/C)C(=O)OC)P(=O)(OCC)OCC

InChI

InChI=1S/C21H32N3O8P/c1-7-30-19(26)21(5,33(28,31-8-2)32-9-3)17(18(25)29-6)15(4)23-24-20(27)22-16-13-11-10-12-14-16/h10-14,17H,7-9H2,1-6H3,(H2,22,24,27)/b23-15+