(2E)-4-(4-methoxy-2-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-4-(4-methoxy-2-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: (2E)-4-(4-methoxy-2-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxo-butanenitrile CAS Name: (2E)-4-(4-methoxy-2-nitrophenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: (2E)-4-(4-methoxy-2-nitrophenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-3-oxobutanenitrile Traditional Name: (2E)-3-keto-4-(4-methoxy-2-nitro-phenoxy)-2-(3-methyl-1,3-benzothiazol-2-ylidene)butyronitrile Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O5S/c1-21-14-5-3-4-6-18(14)28-19(21)13(10-20)16(23)11-27-17-8-7-12(26-2)9-15(17)22(24)25/h3-9H,11H2,1-2H3/b19-13+