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

Systemtic Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Openeye Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]pyrazol-3-one CAS Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-pyrazolin-3-one Formula: C19H12N4O5S MolecularWeight: 408.38738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C19H12N4O5S/c1-10-12(6-11-7-15-16(28-9-27-15)8-14(11)23(25)26)18(24)22(21-10)19-20-13-4-2-3-5-17(13)29-19/h2-8H,9H2,1H3/b12-6+