N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide Openeye Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide CAS Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide IUPAC Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxybenzamide Traditional Name: N-[3-(2-methoxyethyl)-5-nitro-1,3-benzothiazol-2-ylidene]-4-phenoxy-benzamide Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COCCN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H19N3O5S/c1-30-14-13-25-20-15-17(26(28)29)9-12-21(20)32-23(25)24-22(27)16-7-10-19(11-8-16)31-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3