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

Systemtic Name: 6-[[[3-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-chloro-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylidene]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[3-(1,3-benzothiazol-2-yl)anilino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C20H12ClN3O3S MolecularWeight: 409.84558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)NC=C4C=C(C=C(C4=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H12ClN3O3S/c21-14-8-13(19(25)17(10-14)24(26)27)11-22-15-5-3-4-12(9-15)20-23-16-6-1-2-7-18(16)28-20/h1-11,22H