ethyl 4-diethoxyphosphoryl-2,4-dimethyl-5-oxidanylidene-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 4-diethoxyphosphoryl-2,4-dimethyl-5-oxidanylidene-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 4-diethoxyphosphoryl-2,4-dimethyl-5-oxo-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-4-diethoxyphosphoryl-2,4-dimethyl-5-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-diethoxyphosphoryl-2,4-dimethyl-5-oxo-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 4-diethoxyphosphoryl-5-keto-2,4-dimethyl-1-(phenylcarbamoylamino)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H28N3O7P MolecularWeight: 453.425981

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1(C)P(=O)(OCC)OCC)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1(C)P(=O)(OCC)OCC)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C20H28N3O7P/c1-6-28-17(24)16-14(4)23(22-19(26)21-15-12-10-9-11-13-15)18(25)20(16,5)31(27,29-7-2)30-8-3/h9-13H,6-8H2,1-5H3,(H2,21,22,26)