ethyl 3-nitro-4-(phenylmethyl)-1,2-oxazole-5-carboxylate

Systemtic Name: ethyl 3-nitro-4-(phenylmethyl)-1,2-oxazole-5-carboxylate Openeye Name: ethyl 4-benzyl-3-nitro-isoxazole-5-carboxylate CAS Name: 3-nitro-4-(phenylmethyl)-5-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-3-nitro-1,2-oxazole-5-carboxylate Traditional Name: 4-benzyl-3-nitro-isoxazole-5-carboxylic acid ethyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NO1)[N+](=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=NO1)[N+](=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O5/c1-2-19-13(16)11-10(12(14-20-11)15(17)18)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3