ethyl 5-(3-nitropropyl)-4,5-dihydro-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-(3-nitropropyl)-4,5-dihydro-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-(3-nitropropyl)-4,5-dihydroisoxazole-3-carboxylate CAS Name: 5-(3-nitropropyl)-4,5-dihydroisoxazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-nitropropyl)-4,5-dihydro-1,2-oxazole-3-carboxylate Traditional Name: 5-(3-nitropropyl)-2-isoxazoline-3-carboxylic acid ethyl ester Formula: C9H14N2O5 MolecularWeight: 230.21786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(C1)CCC[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=NOC(C1)CCC[N+](=O)[O-]

InChI

InChI=1S/C9H14N2O5/c1-2-15-9(12)8-6-7(16-10-8)4-3-5-11(13)14/h7H,2-6H2,1H3