ethyl 4-cyano-5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-cyano-5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-cyano-5-(3-nitrophenyl)isoxazole-3-carboxylate CAS Name: 4-cyano-5-(3-nitrophenyl)-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(3-nitrophenyl)-1,2-oxazole-3-carboxylate Traditional Name: 4-cyano-5-(3-nitrophenyl)isoxazole-3-carboxylic acid ethyl ester Formula: C13H9N3O5 MolecularWeight: 287.22766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1C#N)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NOC(=C1C#N)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H9N3O5/c1-2-20-13(17)11-10(7-14)12(21-15-11)8-4-3-5-9(6-8)16(18)19/h3-6H,2H2,1H3