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

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-propan-2-yloxypropyl)prop-2-enamide Openeye Name: (E)-N-(3-isopropoxypropyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-propan-2-yloxypropyl)-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-(3-propan-2-yloxypropyl)prop-2-enamide Traditional Name: (E)-N-(3-isopropoxypropyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OCCCNC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6/c1-12(2)24-7-3-6-18-16(20)5-4-13-8-15(19(21)22)9-14-10-23-11-25-17(13)14/h4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,20)/b5-4+