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

Systemtic Name: 4-nitro-6-[[(4-oxidanyl-1,3-benzothiazol-2-yl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(4-hydroxy-1,3-benzothiazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(4-hydroxy-1,3-benzothiazol-2-yl)amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(4-hydroxy-1,3-benzothiazol-2-yl)amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[(4-hydroxy-1,3-benzothiazol-2-yl)amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C14H9N3O4S MolecularWeight: 315.30396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=CC3=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C2C(=C1)SC(=N2)NC=C3C=C(C=CC3=O)[N+](=O)[O-])O

InChI

InChI=1S/C14H9N3O4S/c18-10-5-4-9(17(20)21)6-8(10)7-15-14-16-13-11(19)2-1-3-12(13)22-14/h1-7,19H,(H,15,16)