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

Systemtic Name: 3-bromanyl-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Openeye Name: 3-bromo-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid CAS Name: 3-bromo-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-bromo-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Traditional Name: 3-bromo-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]indole-2-carboxylic acid Formula: C17H11BrClNO4 MolecularWeight: 408.63054

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)Br)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CN3C4=CC=CC=C4C(=C3C(=O)O)Br)Cl

InChI

InChI=1S/C17H11BrClNO4/c18-15-10-3-1-2-4-12(10)20(16(15)17(21)22)7-9-5-13-14(6-11(9)19)24-8-23-13/h1-6H,7-8H2,(H,21,22)