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

Systemtic Name: (E)-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-(cyclopropylamino)-2-keto-ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC(=O)CNC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6/c20-14(17-7-15(21)18-12-2-3-12)4-1-10-5-13(19(22)23)6-11-8-24-9-25-16(10)11/h1,4-6,12H,2-3,7-9H2,(H,17,20)(H,18,21)/b4-1+