(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(9-oxidanylideneacridin-10-yl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(9-oxidanylideneacridin-10-yl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(9-oxoacridin-10-yl)acetate CAS Name: 2-(9-oxo-10-acridinyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(9-oxoacridin-10-yl)acetate Traditional Name: 2-(9-ketoacridin-10-yl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C25H20ClNO5 MolecularWeight: 449.883

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53)Cl)OC1

InChI

InChI=1S/C25H20ClNO5/c26-19-12-16(13-22-25(19)31-11-5-10-30-22)15-32-23(28)14-27-20-8-3-1-6-17(20)24(29)18-7-2-4-9-21(18)27/h1-4,6-9,12-13H,5,10-11,14-15H2