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

Systemtic Name: 6-[[[4-(1,3-benzothiazol-2-yl)phenyl]amino]methylidene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-2-methyl-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylidene]-2-methyl-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(1,3-benzothiazol-2-yl)anilino]methylene]-2-methyl-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=CNC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c1-13-10-17(24(26)27)11-15(20(13)25)12-22-16-8-6-14(7-9-16)21-23-18-4-2-3-5-19(18)28-21/h2-12,22H,1H3