1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol

Systemtic Name: 1-[[3,5-bis(bromanyl)-4-methoxy-phenyl]methyl]-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol Openeye Name: 1-[(3,5-dibromo-4-methoxy-phenyl)methyl]-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol CAS Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol IUPAC Name: 1-[(3,5-dibromo-4-methoxyphenyl)methyl]-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol Traditional Name: 1-(3,5-dibromo-4-methoxy-benzyl)-7-nitro-1,2,3,4-tetrahydroisoquinolin-6-ol Formula: C17H16Br2N2O4 MolecularWeight: 472.12794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2)O)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1Br)CC2C3=CC(=C(C=C3CCN2)O)[N+](=O)[O-])Br

InChI

InChI=1S/C17H16Br2N2O4/c1-25-17-12(18)4-9(5-13(17)19)6-14-11-8-15(21(23)24)16(22)7-10(11)2-3-20-14/h4-5,7-8,14,20,22H,2-3,6H2,1H3