(1-cyanoindolizin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-tert-butyl-3-nitro-benzoate CAS Name: 4-tert-butyl-3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-tert-butyl-3-nitrobenzoate Traditional Name: 4-tert-butyl-3-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-21(2,3)17-8-7-14(10-19(17)24(26)27)20(25)28-13-15-12-23-9-5-4-6-18(23)16(15)11-22/h4-10,12H,13H2,1-3H3