5-chloranyl-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-1H-indole-2-carboxylate

Systemtic Name: 5-chloranyl-3-[2-oxidanylidene-2-(pyridin-3-ylmethylamino)ethyl]-1H-indole-2-carboxylate Openeye Name: 5-chloro-3-[2-oxo-2-(3-pyridylmethylamino)ethyl]-1H-indole-2-carboxylate CAS Name: 5-chloro-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-1H-indole-2-carboxylate IUPAC Name: 5-chloro-3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]-1H-indole-2-carboxylate Traditional Name: 5-chloro-3-[2-keto-2-(3-pyridylmethylamino)ethyl]-1H-indole-2-carboxylate Formula: C17H13ClN3O3- MolecularWeight: 342.75642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H14ClN3O3/c18-11-3-4-14-12(6-11)13(16(21-14)17(23)24)7-15(22)20-9-10-2-1-5-19-8-10/h1-6,8,21H,7,9H2,(H,20,22)(H,23,24)/p-1