(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)-3-oxo-butanenitrile CAS Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)-3-oxobutanenitrile IUPAC Name: (2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)-3-oxobutanenitrile Traditional Name: (2E)-3-keto-2-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(3-nitrophenoxy)butyronitrile Formula: C18H13N3O4S MolecularWeight: 367.37852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)COC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O4S/c1-20-15-7-2-3-8-17(15)26-18(20)14(10-19)16(22)11-25-13-6-4-5-12(9-13)21(23)24/h2-9H,11H2,1H3/b18-14+