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

Systemtic Name: 6-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC=C3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C15H11N3O3S/c1-9-17-13-4-2-11(7-15(13)22-9)16-8-10-6-12(18(20)21)3-5-14(10)19/h2-8,16H,1H3