7-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2-chloro-6-fluoro-benzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-chloro-6-fluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(2-chloro-6-fluoro-benzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H13ClFNO5 MolecularWeight: 365.740223

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=C(C=CC=C3Cl)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=C(C=CC=C3Cl)F)OC1

InChI

InChI=1S/C17H13ClFNO5/c18-10-3-1-4-11(19)15(10)16(21)20-12-8-14-13(7-9(12)17(22)23)24-5-2-6-25-14/h1,3-4,7-8H,2,5-6H2,(H,20,21)(H,22,23)