(E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-pyridin-4-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-pyridin-4-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[1-phenyl-3-(4-pyridyl)pyrazol-4-yl]acrylamide Formula: C26H18N6O5 MolecularWeight: 494.45832

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)C(=CC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])NC(=O)/C(=C/C3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C26H18N6O5/c27-15-18(26(33)29-21-13-23-24(37-11-10-36-23)14-22(21)32(34)35)12-19-16-31(20-4-2-1-3-5-20)30-25(19)17-6-8-28-9-7-17/h1-9,12-14,16H,10-11H2,(H,29,33)/b18-12+