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

Systemtic Name: 1-(3-nitrophenyl)ethyl 3-methyl-1,2-oxazole-5-carboxylate Openeye Name: 1-(3-nitrophenyl)ethyl 3-methylisoxazole-5-carboxylate CAS Name: 3-methyl-5-isoxazolecarboxylic acid 1-(3-nitrophenyl)ethyl ester IUPAC Name: 1-(3-nitrophenyl)ethyl 3-methyl-1,2-oxazole-5-carboxylate Traditional Name: 3-methylisoxazole-5-carboxylic acid 1-(3-nitrophenyl)ethyl ester Formula: C13H12N2O5 MolecularWeight: 276.24478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)C(=O)OC(C)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

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