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

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-pyridyl)acrylamide Formula: C17H12N4O5 MolecularWeight: 352.30098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O5/c18-10-12(7-11-1-3-19-4-2-11)17(22)20-13-8-15-16(26-6-5-25-15)9-14(13)21(23)24/h1-4,7-9H,5-6H2,(H,20,22)/b12-7+