6-bromanyl-2-(1,3-dioxol-4-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 6-bromanyl-2-(1,3-dioxol-4-ylmethyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 6-bromo-2-(1,3-dioxol-4-ylmethyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 6-bromo-2-(1,3-dioxol-4-ylmethyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 6-bromo-2-(1,3-dioxol-4-ylmethyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-bromo-2-(1,3-dioxol-4-ylmethyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C20H14BrNO5 MolecularWeight: 428.23286

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Descriptors Computed from Structure

Canonical SMILES:

C1OC=C(O1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1OC=C(O1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Br)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C20H14BrNO5/c21-13-6-7-15-16(8-13)17(12-4-2-1-3-5-12)18(20(24)25)22(19(15)23)9-14-10-26-11-27-14/h1-8,10H,9,11H2,(H,24,25)