6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(1,3-benzothiazol-2-ylhydrazo)methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C14H10N4O3S MolecularWeight: 314.3192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NNC=C3C=CC=C(C3=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NNC=C3C=CC=C(C3=O)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O3S/c19-13-9(4-3-6-11(13)18(20)21)8-15-17-14-16-10-5-1-2-7-12(10)22-14/h1-8,15H,(H,16,17)