5-bromanyl-1-(phenylmethyl)-3H-indole-2,2-dicarboxylic acid

Systemtic Name: 5-bromanyl-1-(phenylmethyl)-3H-indole-2,2-dicarboxylic acid Openeye Name: 1-benzyl-5-bromo-indoline-2,2-dicarboxylic acid CAS Name: 5-bromo-1-(phenylmethyl)-3H-indole-2,2-dicarboxylic acid IUPAC Name: 1-benzyl-5-bromo-3H-indole-2,2-dicarboxylic acid Traditional Name: 1-benzyl-5-bromo-indoline-2,2-dicarboxylic acid Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1C2=C(C=CC(=C2)Br)N(C1(C(=O)O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C17H14BrNO4/c18-13-6-7-14-12(8-13)9-17(15(20)21,16(22)23)19(14)10-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,20,21)(H,22,23)