(E)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Openeye Name: (E)-N-[2-morpholino-2-(2-thienyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide CAS Name: (E)-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-2-propenamide IUPAC Name: (E)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide Traditional Name: (E)-N-[2-morpholino-2-(2-thienyl)ethyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acrylamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(CNC(=O)C=CC2=CC(=CC3=C2OCOC3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1COCCN1C(CNC(=O)/C=C/C2=CC(=CC3=C2OCOC3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H23N3O6S/c25-20(22-12-18(19-2-1-9-31-19)23-5-7-28-8-6-23)4-3-15-10-17(24(26)27)11-16-13-29-14-30-21(15)16/h1-4,9-11,18H,5-8,12-14H2,(H,22,25)/b4-3+