(4E)-5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]pyrazol-3-one

Systemtic Name: (4E)-5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]pyrazol-3-one Openeye Name: (4E)-5-morpholino-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylene]pyrazol-3-one CAS Name: (4E)-5-(4-morpholinyl)-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]-3-pyrazolone IUPAC Name: (4E)-5-morpholin-4-yl-2-(4-nitrophenyl)-4-[(4-nitrophenyl)methylidene]pyrazol-3-one Traditional Name: (4E)-5-morpholino-4-(4-nitrobenzylidene)-2-(4-nitrophenyl)-2-pyrazolin-3-one Formula: C20H17N5O6 MolecularWeight: 423.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NN(C(=O)C2=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C\2=NN(C(=O)/C2=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O6/c26-20-18(13-14-1-3-16(4-2-14)24(27)28)19(22-9-11-31-12-10-22)21-23(20)15-5-7-17(8-6-15)25(29)30/h1-8,13H,9-12H2/b18-13+