5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole-3-carboxylate

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole-3-carboxylate Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole-3-carboxylate CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-isoxazolecarboxylate IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole-3-carboxylate Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole-3-carboxylate Formula: C13H10NO5- MolecularWeight: 260.2222

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=CC(=NO3)C(=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=CC(=NO3)C(=O)[O-])OC1

InChI

InChI=1S/C13H11NO5/c15-13(16)9-7-11(19-14-9)8-2-3-10-12(6-8)18-5-1-4-17-10/h2-3,6-7H,1,4-5H2,(H,15,16)/p-1