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

Systemtic Name: 6-[[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzothiazol-2-yl)-4-chloro-anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzothiazol-2-yl)-4-chloro-anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14ClN3O4S MolecularWeight: 439.87156

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4S/c1-29-18-10-14(25(27)28)8-12(20(18)26)11-23-13-6-7-16(22)15(9-13)21-24-17-4-2-3-5-19(17)30-21/h2-11,23H,1H3