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

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-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-(cyclopropylamino)-2-keto-ethyl] ester Formula: C15H16ClNO5 MolecularWeight: 325.74424

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3CC3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)C(=O)OCC(=O)NC3CC3)Cl)OC1

InChI

InChI=1S/C15H16ClNO5/c16-11-6-9(7-12-14(11)21-5-1-4-20-12)15(19)22-8-13(18)17-10-2-3-10/h6-7,10H,1-5,8H2,(H,17,18)