[1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: [1-[(4-dimethylaminophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: [2-[4-(dimethylamino)anilino]-1-methyl-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 [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[4-(dimethylamino)anilino]-1-oxopropan-2-yl] 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-[4-(dimethylamino)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N(C)C)OC(=O)C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H23ClN2O5/c1-13(20(25)23-15-5-7-16(8-6-15)24(2)3)29-21(26)14-11-17(22)19-18(12-14)27-9-4-10-28-19/h5-8,11-13H,4,9-10H2,1-3H3,(H,23,25)