(4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-phenyl-pyrazol-3-one Openeye Name: (4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazono]-2-phenyl-pyrazol-3-one CAS Name: (4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-phenyl-3-pyrazolone IUPAC Name: (4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazinylidene]-2-phenylpyrazol-3-one Traditional Name: (4E)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)hydrazono]-2-phenyl-2-pyrazolin-3-one Formula: C17H13N5O5 MolecularWeight: 367.31562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=NNC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

Isomeric SMILES

CC\1=NN(C(=O)/C1=N/NC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=CC=CC=C4

InChI

InChI=1S/C17H13N5O5/c1-10-16(17(23)21(20-10)11-5-3-2-4-6-11)19-18-12-7-14-15(27-9-26-14)8-13(12)22(24)25/h2-8,18H,9H2,1H3/b19-16+