N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3-nitro-benzamide

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl]-3-nitro-benzamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-nitro-benzamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-3-nitrobenzamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-3-nitro-benzamide Formula: C17H14N2O6S MolecularWeight: 374.36786

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O6S/c20-16(18-17(21)11-2-1-3-12(8-11)19(22)23)10-26-13-4-5-14-15(9-13)25-7-6-24-14/h1-5,8-9H,6-7,10H2,(H,18,20,21)