(E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-prop-2-ynoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-prop-2-ynoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-propargyloxyphenyl)acrylamide Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

C#CCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C21H15N3O6/c1-2-7-28-18-6-4-3-5-14(18)10-15(13-22)21(25)23-16-11-19-20(30-9-8-29-19)12-17(16)24(26)27/h1,3-6,10-12H,7-9H2,(H,23,25)/b15-10+