(E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C21H16N4O5 MolecularWeight: 404.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NCCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O5/c22-10-15(7-14-8-19-20(30-12-29-19)9-18(14)25(27)28)21(26)23-6-5-13-11-24-17-4-2-1-3-16(13)17/h1-4,7-9,11,24H,5-6,12H2,(H,23,26)/b15-7+