4-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid

Systemtic Name: 4-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid Openeye Name: 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid CAS Name: 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid IUPAC Name: 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid Traditional Name: 4-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrrole-3-carboxylic acid Formula: C14H12ClNO4 MolecularWeight: 293.70238

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C3=CNC=C3C(=O)O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C3=CNC=C3C(=O)O)Cl)OC1

InChI

InChI=1S/C14H12ClNO4/c15-11-4-8(9-6-16-7-10(9)14(17)18)5-12-13(11)20-3-1-2-19-12/h4-7,16H,1-3H2,(H,17,18)