2-[[7-(4-nitrophenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[7-(4-nitrophenoxy)-4-oxidanyl-isoquinolin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-hydroxy-7-(4-nitrophenoxy)isoquinoline-3-carbonyl]amino]acetic acid CAS Name: 2-[[[4-hydroxy-7-(4-nitrophenoxy)-3-isoquinolinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-hydroxy-7-(4-nitrophenoxy)isoquinoline-3-carbonyl]amino]acetic acid Traditional Name: 2-[[4-hydroxy-7-(4-nitrophenoxy)isoquinoline-3-carbonyl]amino]acetic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC2=CC3=CN=C(C(=C3C=C2)O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H13N3O7/c22-15(23)9-20-18(25)16-17(24)14-6-5-13(7-10(14)8-19-16)28-12-3-1-11(2-4-12)21(26)27/h1-8,24H,9H2,(H,20,25)(H,22,23)