N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-thiochromen-2-yl]-4-nitro-benzamide Openeye Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-thiochromen-2-yl]-4-nitro-benzamide CAS Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzothiopyran-2-yl]-4-nitrobenzamide IUPAC Name: N-[3-(1,3-benzodioxol-5-yl)-4-oxothiochromen-2-yl]-4-nitrobenzamide Traditional Name: N-[3-(1,3-benzodioxol-5-yl)-4-keto-thiochromen-2-yl]-4-nitro-benzamide Formula: C23H14N2O6S MolecularWeight: 446.43206

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(SC4=CC=CC=C4C3=O)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O6S/c26-21-16-3-1-2-4-19(16)32-23(20(21)14-7-10-17-18(11-14)31-12-30-17)24-22(27)13-5-8-15(9-6-13)25(28)29/h1-11H,12H2,(H,24,27)