7-[(2-fluorophenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[(2-fluorophenyl)carbonylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[(2-fluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[(2-fluorophenyl)-oxomethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[(2-fluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[(2-fluorobenzoyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C17H14FNO5 MolecularWeight: 331.295163

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3F)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)O)NC(=O)C3=CC=CC=C3F)OC1

InChI

InChI=1S/C17H14FNO5/c18-12-5-2-1-4-10(12)16(20)19-13-9-15-14(8-11(13)17(21)22)23-6-3-7-24-15/h1-2,4-5,8-9H,3,6-7H2,(H,19,20)(H,21,22)