2-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-chloro-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-chloro-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6-chloro-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 6-chloro-1-keto-4-phenyl-2-piperonyl-isoquinoline-3-carboxylic acid Formula: C24H16ClNO5 MolecularWeight: 433.84054

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Cl)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C(=C(C4=C(C3=O)C=CC(=C4)Cl)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H16ClNO5/c25-16-7-8-17-18(11-16)21(15-4-2-1-3-5-15)22(24(28)29)26(23(17)27)12-14-6-9-19-20(10-14)31-13-30-19/h1-11H,12-13H2,(H,28,29)