3-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(2-methoxy-5-nitro-phenoxy)ethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-(2-methoxy-5-nitrophenoxy)-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(2-methoxy-5-nitrophenoxy)acetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-(2-methoxy-5-nitro-phenoxy)acetyl]indol-1-yl]propionitrile Formula: C20H17N3O5 MolecularWeight: 379.36608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C20H17N3O5/c1-27-19-8-7-14(23(25)26)11-20(19)28-13-18(24)16-12-22(10-4-9-21)17-6-3-2-5-15(16)17/h2-3,5-8,11-12H,4,10,13H2,1H3