4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one

Systemtic Name: 4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one Openeye Name: 4-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2,5-bis(4-nitrophenyl)pyrazol-3-one CAS Name: 4-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]-2,5-bis(4-nitrophenyl)-3-pyrazolone IUPAC Name: 4-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one Traditional Name: 4-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2,5-bis(4-nitrophenyl)-2-pyrazolin-3-one Formula: C23H25N6O6+ MolecularWeight: 481.4812

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC=C2C(=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N6O6/c30-23-21(16-24-10-1-11-26-12-14-35-15-13-26)22(17-2-4-19(5-3-17)28(31)32)25-27(23)18-6-8-20(9-7-18)29(33)34/h2-9,16,24H,1,10-15H2/p+1