N-[3-(4-methoxyphenyl)-4-oxidanylidene-[1]benzothiolo[3,2-b]pyran-2-yl]-3-nitro-benzamide

Systemtic Name: N-[3-(4-methoxyphenyl)-4-oxidanylidene-[1]benzothiolo[3,2-b]pyran-2-yl]-3-nitro-benzamide Openeye Name: N-[3-(4-methoxyphenyl)-4-oxo-benzothiopheno[3,2-b]pyran-2-yl]-3-nitro-benzamide CAS Name: N-[3-(4-methoxyphenyl)-4-oxo-[1]benzothiolo[3,2-b]pyran-2-yl]-3-nitrobenzamide IUPAC Name: N-[3-(4-methoxyphenyl)-4-oxo-[1]benzothiolo[3,2-b]pyran-2-yl]-3-nitrobenzamide Traditional Name: N-[4-keto-3-(4-methoxyphenyl)benzothiopheno[3,2-b]pyran-2-yl]-3-nitro-benzamide Formula: C25H16N2O6S MolecularWeight: 472.46934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)SC4=CC=CC=C43)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(OC3=C(C2=O)SC4=CC=CC=C43)NC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H16N2O6S/c1-32-17-11-9-14(10-12-17)20-21(28)23-22(18-7-2-3-8-19(18)34-23)33-25(20)26-24(29)15-5-4-6-16(13-15)27(30)31/h2-13H,1H3,(H,26,29)