(E)-N-ethyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide

Systemtic Name: (E)-N-ethyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]prop-2-enamide Openeye Name: (E)-N-ethyl-N-[2-(isopropylamino)-2-oxo-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-ethyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-propenamide IUPAC Name: (E)-N-ethyl-3-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]prop-2-enamide Traditional Name: (E)-N-ethyl-N-[2-(isopropylamino)-2-keto-ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C17H21N3O6 MolecularWeight: 363.36514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)C=CC1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H21N3O6/c1-4-19(9-16(21)18-11(2)3)17(22)6-5-12-7-14-15(26-10-25-14)8-13(12)20(23)24/h5-8,11H,4,9-10H2,1-3H3,(H,18,21)/b6-5+