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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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