(E)-N-(4-morpholin-4-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-N-(4-morpholin-4-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-(4-morpholinophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[4-(4-morpholinyl)phenyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-(4-morpholin-4-ylphenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-(4-morpholinophenyl)-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H19N3O6 MolecularWeight: 397.38136

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C20H19N3O6/c24-20(21-15-2-4-16(5-3-15)22-7-9-27-10-8-22)6-1-14-11-18-19(29-13-28-18)12-17(14)23(25)26/h1-6,11-12H,7-10,13H2,(H,21,24)/b6-1+