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

Systemtic Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole-3-carboxylic acid Openeye Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole-3-carboxylic acid CAS Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-isoxazolecarboxylic acid IUPAC Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazole-3-carboxylic acid Traditional Name: 5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)isoxazole-3-carboxylic acid Formula: C13H11NO5 MolecularWeight: 261.23014

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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)