(1-cyanoindolizin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C20H17N3O6 MolecularWeight: 395.36548

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O6/c1-3-28-19-8-14(17(23(25)26)9-18(19)27-2)20(24)29-12-13-11-22-7-5-4-6-16(22)15(13)10-21/h4-9,11H,3,12H2,1-2H3