[5-(3-nitropropyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenyl-methanone

Systemtic Name: [5-(3-nitropropyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenyl-methanone Openeye Name: [5-(3-nitropropyl)-4,5-dihydroisoxazol-3-yl]-phenyl-methanone CAS Name: [5-(3-nitropropyl)-4,5-dihydroisoxazol-3-yl]-phenylmethanone IUPAC Name: [5-(3-nitropropyl)-4,5-dihydro-1,2-oxazol-3-yl]-phenylmethanone Traditional Name: [5-(3-nitropropyl)-2-isoxazolin-3-yl]-phenyl-methanone Formula: C13H14N2O4 MolecularWeight: 262.26126

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C(=O)C2=CC=CC=C2)CCC[N+](=O)[O-]

Isomeric SMILES

C1C(ON=C1C(=O)C2=CC=CC=C2)CCC[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O4/c16-13(10-5-2-1-3-6-10)12-9-11(19-14-12)7-4-8-15(17)18/h1-3,5-6,11H,4,7-9H2