(3E)-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carboxamide

Systemtic Name: (3E)-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carboxamide Openeye Name: (3E)-N-dipyrrolidin-1-ylphosphoryl-2-morpholino-3-[(3-nitrophenyl)methylene]cyclopentene-1-carboxamide CAS Name: (3E)-N-[bis(1-pyrrolidinyl)phosphoryl]-2-(4-morpholinyl)-3-[(3-nitrophenyl)methylidene]-1-cyclopentenecarboxamide IUPAC Name: (3E)-N-dipyrrolidin-1-ylphosphoryl-2-morpholin-4-yl-3-[(3-nitrophenyl)methylidene]cyclopentene-1-carboxamide Traditional Name: (3E)-N-dipyrrolidinophosphoryl-2-morpholino-3-(3-nitrobenzylidene)cyclopentene-1-carboxamide Formula: C25H34N5O5P MolecularWeight: 515.541721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)P(=O)(NC(=O)C2=C(C(=CC3=CC(=CC=C3)[N+](=O)[O-])CC2)N4CCOCC4)N5CCCC5

Isomeric SMILES

C1CCN(C1)P(=O)(NC(=O)C2=C(/C(=C/C3=CC(=CC=C3)[N+](=O)[O-])/CC2)N4CCOCC4)N5CCCC5

InChI

InChI=1S/C25H34N5O5P/c31-25(26-36(34,28-10-1-2-11-28)29-12-3-4-13-29)23-9-8-21(24(23)27-14-16-35-17-15-27)18-20-6-5-7-22(19-20)30(32)33/h5-7,18-19H,1-4,8-17H2,(H,26,31,34)/b21-18+