(2-benzamido-2-oxidanylidene-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C19H16ClNO6 MolecularWeight: 389.78644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H16ClNO6/c20-14-9-13(10-15-17(14)26-8-4-7-25-15)19(24)27-11-16(22)21-18(23)12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2,(H,21,22,23)