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

Systemtic Name: (E)-N-methyl-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]-N-methyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-methyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide IUPAC Name: (E)-N-methyl-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]-N-methyl-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C17H21N3O6 MolecularWeight: 363.36514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O6/c1-11(2)18-15(21)8-19(3)16(22)5-4-12-6-14(20(23)24)7-13-9-25-10-26-17(12)13/h4-7,11H,8-10H2,1-3H3,(H,18,21)/b5-4+