(4E)-4-[(2-hydroxyethylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one

Systemtic Name: (4E)-4-[(2-hydroxyethylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one Openeye Name: (4E)-4-[(2-hydroxyethylamino)methylene]-2,5-bis(4-nitrophenyl)pyrazol-3-one CAS Name: (4E)-4-[(2-hydroxyethylamino)methylidene]-2,5-bis(4-nitrophenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(2-hydroxyethylamino)methylidene]-2,5-bis(4-nitrophenyl)pyrazol-3-one Traditional Name: (4E)-4-[(2-hydroxyethylamino)methylene]-2,5-bis(4-nitrophenyl)-2-pyrazolin-3-one Formula: C18H15N5O6 MolecularWeight: 397.3416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=O)C2=CNCCO)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C\2=NN(C(=O)/C2=C/NCCO)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O6/c24-10-9-19-11-16-17(12-1-3-14(4-2-12)22(26)27)20-21(18(16)25)13-5-7-15(8-6-13)23(28)29/h1-8,11,19,24H,9-10H2/b16-11+