(1-cyanoindolizin-2-yl)methyl 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-(diethylamino)-5-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H20N4O4 MolecularWeight: 392.4079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4/c1-3-23(4-2)20-9-8-16(25(27)28)11-17(20)21(26)29-14-15-13-24-10-6-5-7-19(24)18(15)12-22/h5-11,13H,3-4,14H2,1-2H3