isoquinolin-4-yl-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone

Systemtic Name: isoquinolin-4-yl-[3-nitro-4,5-bis(oxidanyl)phenyl]methanone Openeye Name: (3,4-dihydroxy-5-nitro-phenyl)-(4-isoquinolyl)methanone CAS Name: (3,4-dihydroxy-5-nitrophenyl)-(4-isoquinolinyl)methanone IUPAC Name: (3,4-dihydroxy-5-nitrophenyl)-isoquinolin-4-ylmethanone Traditional Name: (3,4-dihydroxy-5-nitro-phenyl)-(4-isoquinolyl)methanone Formula: C16H10N2O5 MolecularWeight: 310.261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C(=O)C3=CC(=C(C(=C3)O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O5/c19-14-6-10(5-13(16(14)21)18(22)23)15(20)12-8-17-7-9-3-1-2-4-11(9)12/h1-8,19,21H