(E)-N-(2-cyclopentylsulfanylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-cyclopentylsulfanylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-(2-cyclopentylsulfanylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(cyclopentylthio)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(2-cyclopentylsulfanylphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(cyclopentylthio)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)SC2=CC=CC=C2NC(=O)C=CC3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)SC2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC4=C3OCOC4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O5S/c25-21(23-19-7-3-4-8-20(19)30-18-5-1-2-6-18)10-9-15-11-17(24(26)27)12-16-13-28-14-29-22(15)16/h3-4,7-12,18H,1-2,5-6,13-14H2,(H,23,25)/b10-9+