9-[3-(cyanomethyl)phenyl]-10-fluoranyl-2-oxidanyl-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid

Systemtic Name: 9-[3-(cyanomethyl)phenyl]-10-fluoranyl-2-oxidanyl-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid Openeye Name: 9-[3-(cyanomethyl)phenyl]-10-fluoro-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid CAS Name: 9-[3-(cyanomethyl)phenyl]-10-fluoro-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid IUPAC Name: 9-[3-(cyanomethyl)phenyl]-10-fluoro-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid Traditional Name: 9-[3-(cyanomethyl)phenyl]-10-fluoro-2-hydroxy-6,11-dihydro-5H-benzo[a]carbazole-3-carboxylic acid Formula: C25H17FN2O3 MolecularWeight: 412.412483

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC(=C(C=C31)C(=O)O)O)NC4=C2C=CC(=C4F)C5=CC(=CC=C5)CC#N

Isomeric SMILES

C1CC2=C(C3=CC(=C(C=C31)C(=O)O)O)NC4=C2C=CC(=C4F)C5=CC(=CC=C5)CC#N

InChI

InChI=1S/C25H17FN2O3/c26-22-16(14-3-1-2-13(10-14)8-9-27)6-7-18-17-5-4-15-11-20(25(30)31)21(29)12-19(15)23(17)28-24(18)22/h1-3,6-7,10-12,28-29H,4-5,8H2,(H,30,31)