(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-en-1-one CAS Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propen-1-one IUPAC Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-nitro-4-(2-pyrimidylthio)phenyl]prop-2-en-1-one Formula: C21H15N3O5S MolecularWeight: 421.4259

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C=CC3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)/C=C/C3=CC(=C(C=C3)SC4=NC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c25-17(15-4-6-18-19(13-15)29-11-10-28-18)5-2-14-3-7-20(16(12-14)24(26)27)30-21-22-8-1-9-23-21/h1-9,12-13H,10-11H2/b5-2+