[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Openeye Name: [2-(3-fluoroanilino)-2-oxo-ethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoroanilino)-2-oxoethyl] 3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylate Traditional Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-carboxylic acid [2-(3-fluoroanilino)-2-keto-ethyl] ester Formula: C18H16FNO5 MolecularWeight: 345.321743

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)F)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)OCC(=O)NC3=CC(=CC=C3)F)OC1

InChI

InChI=1S/C18H16FNO5/c19-13-3-1-4-14(10-13)20-17(21)11-25-18(22)12-5-6-15-16(9-12)24-8-2-7-23-15/h1,3-6,9-10H,2,7-8,11H2,(H,20,21)