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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-pyrrolecarboxylic acid IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrole-2-carboxylic acid Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)N3C=CC=C3C(=O)O)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)N3C=CC=C3C(=O)O)OC1

InChI

InChI=1S/C14H13NO4/c16-14(17)11-3-1-6-15(11)10-4-5-12-13(9-10)19-8-2-7-18-12/h1,3-6,9H,2,7-8H2,(H,16,17)