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

Systemtic Name: 5-bromanyl-3-[2-[(2-carboxylatophenyl)carbonylamino]ethyl]-1H-indole-2-carboxylate Openeye Name: 5-bromo-3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[2-[[(2-carboxylatophenyl)-oxomethyl]amino]ethyl]-1H-indole-2-carboxylate IUPAC Name: 5-bromo-3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[2-[(2-carboxylatobenzoyl)amino]ethyl]-1H-indole-2-carboxylate Formula: C19H13BrN2O5-2 MolecularWeight: 429.22092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN2O5/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