(11bS)-4-chloranyl-13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate

Systemtic Name: (11bS)-4-chloranyl-13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Openeye Name: (11bS)-4-chloro-13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate CAS Name: (11bS)-4-chloro-13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate IUPAC Name: (11bS)-4-chloro-13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Traditional Name: (11bS)-4-chloro-7-keto-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Formula: C20H17ClNO3- MolecularWeight: 354.80688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2C3=CC=CC(=C3C(=O)N2CC4=C1C=CC=C4Cl)C(=O)[O-])C

Isomeric SMILES

CC1(C[C@H]2C3=CC=CC(=C3C(=O)N2CC4=C1C=CC=C4Cl)C(=O)[O-])C

InChI

InChI=1S/C20H18ClNO3/c1-20(2)9-16-11-5-3-6-12(19(24)25)17(11)18(23)22(16)10-13-14(20)7-4-8-15(13)21/h3-8,16H,9-10H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1