4-[[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[6,7-bis(oxidanyl)-3,4-dihydro-1H-isoquinolin-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-(6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile CAS Name: 4-[(6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]benzonitrile IUPAC Name: 4-(6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Traditional Name: 4-(6,7-dihydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzonitrile Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC(=C(C=C21)O)O)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC2=CC(=C(C=C21)O)O)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H14N2O3/c18-9-11-1-3-12(4-2-11)17(22)19-6-5-13-7-15(20)16(21)8-14(13)10-19/h1-4,7-8,20-21H,5-6,10H2