6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylidene]-2-methoxy-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylidene]-2-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3-bromophenyl)-1,3-benzothiazol-5-yl]amino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H14BrN3O4S MolecularWeight: 484.32256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC3=C(C=C2)SC(=N3)C4=CC(=CC=C4)Br)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC3=C(C=C2)SC(=N3)C4=CC(=CC=C4)Br)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14BrN3O4S/c1-29-18-10-16(25(27)28)8-13(20(18)26)11-23-15-5-6-19-17(9-15)24-21(30-19)12-3-2-4-14(22)7-12/h2-11,23H,1H3