5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-4-yl]-2-oxidanyl-benzamide

Systemtic Name: 5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-4-yl]-2-oxidanyl-benzamide Openeye Name: 2-hydroxy-5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]thiazol-4-yl]benzamide CAS Name: 2-hydroxy-5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-4-thiazolyl]benzamide IUPAC Name: 2-hydroxy-5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1,3-thiazol-4-yl]benzamide Traditional Name: 2-hydroxy-5-[2-methylimino-3-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-4-thiazolin-4-yl]benzamide Formula: C19H15N5O6S MolecularWeight: 441.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C(=CS1)C2=CC(=C(C=C2)O)C(=O)N)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

CN=C1N(C(=CS1)C2=CC(=C(C=C2)O)C(=O)N)/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C19H15N5O6S/c1-21-19-23(14(8-31-19)10-2-3-15(25)12(4-10)18(20)26)22-7-11-5-16-17(30-9-29-16)6-13(11)24(27)28/h2-8,25H,9H2,1H3,(H2,20,26)/b21-19?,22-7+