3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-fluoranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-6-fluoranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-fluoro-1H-indole-2-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-fluoro-1H-indole-2-carboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-fluoro-1H-indole-2-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-6-fluoro-1H-indole-2-carboxylic acid Formula: C17H11ClFNO4 MolecularWeight: 347.724943

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CC3=C(NC4=C3C=CC(=C4)F)C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CC3=C(NC4=C3C=CC(=C4)F)C(=O)O)Cl

InChI

InChI=1S/C17H11ClFNO4/c18-12-6-15-14(23-7-24-15)4-8(12)3-11-10-2-1-9(19)5-13(10)20-16(11)17(21)22/h1-2,4-6,20H,3,7H2,(H,21,22)