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

Systemtic Name: (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Openeye Name: (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide CAS Name: (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)-2-propenamide IUPAC Name: (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide Traditional Name: (E)-N-[2-(1H-indol-3-yl)ethyl]-3-(6-nitro-1,3-benzodioxol-5-yl)acrylamide Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O5/c24-20(21-8-7-14-11-22-16-4-2-1-3-15(14)16)6-5-13-9-18-19(28-12-27-18)10-17(13)23(25)26/h1-6,9-11,22H,7-8,12H2,(H,21,24)/b6-5+