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

Systemtic Name: 6-[[[2-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(1,3-benzothiazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-(1,3-benzothiazol-2-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H13N3O3S MolecularWeight: 375.40052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)NC=C4C=C(C=CC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H13N3O3S/c24-18-10-9-14(23(25)26)11-13(18)12-21-16-6-2-1-5-15(16)20-22-17-7-3-4-8-19(17)27-20/h1-12,21H