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

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-nitro-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c1-25-17-6-5-12(8-16(17)21(23)24)18(22)26-11-13-10-20-7-3-2-4-15(20)14(13)9-19/h2-8,10H,11H2,1H3