3-[(5-bromanyl-2-oxidanyl-phenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate

Systemtic Name: 3-[(5-bromanyl-2-oxidanyl-phenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate Openeye Name: 3-[(5-bromo-2-hydroxy-phenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate CAS Name: 3-[(5-bromo-2-hydroxyphenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate IUPAC Name: 3-[(5-bromo-2-hydroxyphenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate Traditional Name: 3-[(5-bromo-2-hydroxy-phenyl)-(2-carboxylato-1H-indol-3-yl)methyl]-1H-indole-2-carboxylate Formula: C25H15BrN2O5-2 MolecularWeight: 503.301

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])C(C3=C(C=CC(=C3)Br)O)C4=C(NC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)[O-])C(C3=C(C=CC(=C3)Br)O)C4=C(NC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C25H17BrN2O5/c26-12-9-10-18(29)15(11-12)19(20-13-5-1-3-7-16(13)27-22(20)24(30)31)21-14-6-2-4-8-17(14)28-23(21)25(32)33/h1-11,19,27-29H,(H,30,31)(H,32,33)/p-2