(1-cyanoindolizin-2-yl)methyl 2-nitrobenzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-nitrobenzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H11N3O4 MolecularWeight: 321.28694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O4/c18-9-14-12(10-19-8-4-3-6-15(14)19)11-24-17(21)13-5-1-2-7-16(13)20(22)23/h1-8,10H,11H2