1-ethynyl-6-methoxy-2-[(5-nitrofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol

Systemtic Name: 1-ethynyl-6-methoxy-2-[(5-nitrofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol Openeye Name: 1-ethynyl-6-methoxy-2-[(5-nitro-2-furyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol CAS Name: 1-ethynyl-6-methoxy-2-[(5-nitro-2-furanyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol IUPAC Name: 1-ethynyl-6-methoxy-2-[(5-nitrofuran-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol Traditional Name: 1-ethynyl-6-methoxy-2-[(5-nitro-2-furyl)methyl]-3,4-dihydro-1H-isoquinolin-7-ol Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)CC3=CC=C(O3)[N+](=O)[O-])C#C)O

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)CC3=CC=C(O3)[N+](=O)[O-])C#C)O

InChI

InChI=1S/C17H16N2O5/c1-3-14-13-9-15(20)16(23-2)8-11(13)6-7-18(14)10-12-4-5-17(24-12)19(21)22/h1,4-5,8-9,14,20H,6-7,10H2,2H3