3-[2-[(2-carboxylatophenyl)carbonylamino]ethyl]-5-iodanyl-1H-indole-2-carboxylate

Systemtic Name: 3-[2-[(2-carboxylatophenyl)carbonylamino]ethyl]-5-iodanyl-1H-indole-2-carboxylate Openeye Name: 3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-iodo-1H-indole-2-carboxylate CAS Name: 3-[2-[[(2-carboxylatophenyl)-oxomethyl]amino]ethyl]-5-iodo-1H-indole-2-carboxylate IUPAC Name: 3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-iodo-1H-indole-2-carboxylate Traditional Name: 3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-5-iodo-1H-indole-2-carboxylate Formula: C19H13IN2O5-2 MolecularWeight: 476.22139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCC2=C(NC3=C2C=C(C=C3)I)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCC2=C(NC3=C2C=C(C=C3)I)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C19H15IN2O5/c20-10-5-6-15-14(9-10)11(16(22-15)19(26)27)7-8-21-17(23)12-3-1-2-4-13(12)18(24)25/h1-6,9,22H,7-8H2,(H,21,23)(H,24,25)(H,26,27)/p-2