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

Systemtic Name: 6-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=CC(=CNC2=CC=CC(=C2)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-2-29-19-12-17(25(27)28)11-15(21(19)26)13-23-16-7-5-6-14(10-16)22-24-18-8-3-4-9-20(18)30-22/h3-13,23H,2H2,1H3