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

Systemtic Name: (E)-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(tert-butylamino)-2-oxo-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(tert-butylamino)-2-keto-ethyl]-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)(C)NC(=O)CNC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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