ethyl 2-(2-ethoxy-5-methyl-3-nitro-phenyl)-3-methanoyl-indolizine-1-carboxylate

Systemtic Name: ethyl 2-(2-ethoxy-5-methyl-3-nitro-phenyl)-3-methanoyl-indolizine-1-carboxylate Openeye Name: ethyl 2-(2-ethoxy-5-methyl-3-nitro-phenyl)-3-formyl-indolizine-1-carboxylate CAS Name: 2-(2-ethoxy-5-methyl-3-nitrophenyl)-3-formyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-ethoxy-5-methyl-3-nitrophenyl)-3-formylindolizine-1-carboxylate Traditional Name: 2-(2-ethoxy-5-methyl-3-nitro-phenyl)-3-formyl-indolizine-1-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=C(N3C=CC=CC3=C2C(=O)OCC)C=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=C(N3C=CC=CC3=C2C(=O)OCC)C=O)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O6/c1-4-28-20-14(10-13(3)11-16(20)23(26)27)18-17(12-24)22-9-7-6-8-15(22)19(18)21(25)29-5-2/h6-12H,4-5H2,1-3H3