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

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-pyridylmethyl)acrylamide Formula: C17H15N3O5 MolecularWeight: 341.3181

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NCC3=CN=CC=C3)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NCC3=CN=CC=C3)OCO1

InChI

InChI=1S/C17H15N3O5/c21-16(19-9-12-2-1-5-18-8-12)4-3-13-6-15(20(22)23)7-14-10-24-11-25-17(13)14/h1-8H,9-11H2,(H,19,21)/b4-3+