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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: (2-anilino-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-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-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-anilino-2-keto-ethyl) ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c19-14-9-12(10-15-17(14)24-8-4-7-23-15)18(22)25-11-16(21)20-13-5-2-1-3-6-13/h1-3,5-6,9-10H,4,7-8,11H2,(H,20,21)