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

Systemtic Name: O1-ethyl O4-methyl 2-diethoxyphosphoryl-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]butanedioate Openeye Name: O1-ethyl O4-methyl 3-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-2-diethoxyphosphoryl-butanedioate CAS Name: 2-diethoxyphosphoryl-3-[(1E)-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]hydrazinylidene]ethyl]butanedioic acid O1-ethyl ester O4-methyl ester IUPAC Name: 1-O-ethyl 4-O-methyl 2-diethoxyphosphoryl-3-[(E)-C-methyl-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbonimidoyl]butanedioate Traditional Name: 3-[(E)-N-(tert-butoxycarbonylamino)-C-methyl-carbonimidoyl]-2-diethoxyphosphoryl-succinic acid O1-ethyl ester O4-methyl ester Formula: C18H33N2O9P MolecularWeight: 452.436381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=NNC(=O)OC(C)(C)C)C)C(=O)OC)P(=O)(OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C18H33N2O9P/c1-9-26-16(22)14(30(24,27-10-2)28-11-3)13(15(21)25-8)12(4)19-20-17(23)29-18(5,6)7/h13-14H,9-11H2,1-8H3,(H,20,23)/b19-12+