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

Systemtic Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(1,3-benzothiazol-2-ylhydrazo)methylidene]-2,4-dinitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2,4-dinitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[N'-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2,4-dinitro-cyclohexa-2,4-dien-1-one Formula: C14H9N5O5S MolecularWeight: 359.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H9N5O5S/c20-13-8(5-9(18(21)22)6-11(13)19(23)24)7-15-17-14-16-10-3-1-2-4-12(10)25-14/h1-7,15H,(H,16,17)