(E)-N-[3-(hydroxymethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-[3-(hydroxymethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[3-(hydroxymethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[3-(hydroxymethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[3-(hydroxymethyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-(3-methylolphenyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C18H16N2O6 MolecularWeight: 356.32944

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC(=C2)[N+](=O)[O-])C=CC(=O)NC3=CC=CC(=C3)CO)OCO1

Isomeric SMILES

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NC3=CC=CC(=C3)CO)OCO1

InChI

InChI=1S/C18H16N2O6/c21-9-12-2-1-3-15(6-12)19-17(22)5-4-13-7-16(20(23)24)8-14-10-25-11-26-18(13)14/h1-8,21H,9-11H2,(H,19,22)/b5-4+