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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-ethoxy-3-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5/c1-2-26-18-7-6-13(9-17(18)22(24)25)19(23)27-12-14-11-21-8-4-3-5-16(21)15(14)10-20/h3-9,11H,2,12H2,1H3