(1-cyanoindolizin-2-yl)methyl 2-(2-nitrophenoxy)ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(2-nitrophenoxy)ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(2-nitrophenoxy)acetate CAS Name: 2-(2-nitrophenoxy)acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(2-nitrophenoxy)acetate Traditional Name: 2-(2-nitrophenoxy)acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C18H13N3O5/c19-9-14-13(10-20-8-4-3-5-15(14)20)11-26-18(22)12-25-17-7-2-1-6-16(17)21(23)24/h1-8,10H,11-12H2