2-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[6-(4-bromanylphenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[6-(4-bromophenoxy)-5-nitro-4-pyrimidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[6-(4-bromophenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[6-(4-bromophenoxy)-5-nitro-pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C19H15BrN4O3 MolecularWeight: 427.2514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C(=NC=N3)OC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN4O3/c20-15-5-7-16(8-6-15)27-19-17(24(25)26)18(21-12-22-19)23-10-9-13-3-1-2-4-14(13)11-23/h1-8,12H,9-11H2