4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1,3-benzothiazol-2-ylhydrazo)methylidene]-2-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[N'-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-nitro-cyclohexa-2,5-dien-1-one Formula: C14H10N4O3S MolecularWeight: 314.3192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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