4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-ethoxy-6-nitro-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-ethoxy-6-nitro-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-ethoxy-6-nitro-cyclohexa-2,5-dien-1-one CAS Name: 4-[(1,3-benzothiazol-2-ylhydrazo)methylidene]-2-ethoxy-6-nitro-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[2-(1,3-benzothiazol-2-yl)hydrazinyl]methylidene]-2-ethoxy-6-nitrocyclohexa-2,5-dien-1-one Traditional Name: 4-[[N'-(1,3-benzothiazol-2-yl)hydrazino]methylene]-2-ethoxy-6-nitro-cyclohexa-2,5-dien-1-one Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNNC2=NC3=CC=CC=C3S2)C=C(C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CNNC2=NC3=CC=CC=C3S2)C=C(C1=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4S/c1-2-24-13-8-10(7-12(15(13)21)20(22)23)9-17-19-16-18-11-5-3-4-6-14(11)25-16/h3-9,17H,2H2,1H3,(H,18,19)