(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide Openeye Name: (E)-N-[2-(isopropylamino)-2-oxo-ethyl]-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-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide IUPAC Name: (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide Traditional Name: (E)-N-[2-(isopropylamino)-2-keto-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O6/c1-10(2)18-15(21)7-17-14(20)4-3-11-5-13(19(22)23)6-12-8-24-9-25-16(11)12/h3-6,10H,7-9H2,1-2H3,(H,17,20)(H,18,21)/b4-3+