5-[2-azanyl-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]-2-oxidanyl-benzoate

Systemtic Name: 5-[2-azanyl-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]-2-oxidanyl-benzoate Openeye Name: 5-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]-2-hydroxy-benzoate CAS Name: 5-[2-amino-3-[(2-methoxyethylamino)-oxomethyl]-1-pyrrolo[3,2-b]quinoxalinyl]-2-hydroxybenzoate IUPAC Name: 5-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]-2-hydroxybenzoate Traditional Name: 5-[2-amino-3-(2-methoxyethylcarbamoyl)pyrrolo[3,2-b]quinoxalin-1-yl]-2-hydroxy-benzoate Formula: C21H18N5O5- MolecularWeight: 420.39812

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)O)C(=O)[O-])N

Isomeric SMILES

COCCNC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC(=C(C=C4)O)C(=O)[O-])N

InChI

InChI=1S/C21H19N5O5/c1-31-9-8-23-20(28)16-17-19(25-14-5-3-2-4-13(14)24-17)26(18(16)22)11-6-7-15(27)12(10-11)21(29)30/h2-7,10,27H,8-9,22H2,1H3,(H,23,28)(H,29,30)/p-1